USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 552 ASN :FLIP amide:sc= -0.725 F(o=-2.9!,f=-0.72) USER MOD Set 1.2: A 553 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Set 2.1: A 487 GLN : amide:sc= -5.18! C(o=-5.2!,f=-10!) USER MOD Set 2.2: A 489 TYR OH : rot 165:sc= 0 USER MOD Single : A 486 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.29) USER MOD Single : A 510 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.8!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot -53:sc= 0.11 USER MOD Single : A 528 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-3.2!) USER MOD Single : A 529 SER OG : rot -92:sc= 0.119 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 535 LYS NZ :NH3+ 175:sc= -0.389 (180deg=-0.43) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 555 MET CE :methyl -175:sc= 0 (180deg=-0.0288) USER MOD Single : A 556 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 557 MET CE :methyl -106:sc= -0.379 (180deg=-2.35!) USER MOD Single : A 558 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 564 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.633 -4.107 -4.531 1.00 34.53 N ATOM 29 CA ASP A 482 4.302 -4.371 -5.799 1.00 71.51 C ATOM 30 C ASP A 482 3.292 -4.752 -6.877 1.00 62.53 C ATOM 31 O ASP A 482 3.393 -4.310 -8.022 1.00 2.44 O ATOM 32 CB ASP A 482 5.335 -5.487 -5.633 1.00 34.42 C ATOM 33 CG ASP A 482 6.656 -5.158 -6.299 1.00 53.25 C ATOM 34 OD1 ASP A 482 7.297 -6.085 -6.837 1.00 51.14 O ATOM 35 OD2 ASP A 482 7.048 -3.973 -6.284 1.00 40.52 O ATOM 0 HA ASP A 482 4.811 -3.459 -6.110 1.00 71.51 H new ATOM 0 HB2 ASP A 482 5.502 -5.668 -4.571 1.00 34.42 H new ATOM 0 HB3 ASP A 482 4.939 -6.410 -6.055 1.00 34.42 H new ATOM 40 N VAL A 483 2.319 -5.578 -6.505 1.00 0.34 N ATOM 41 CA VAL A 483 1.291 -6.019 -7.439 1.00 53.33 C ATOM 42 C VAL A 483 -0.098 -5.910 -6.820 1.00 31.42 C ATOM 43 O VAL A 483 -1.056 -5.515 -7.483 1.00 20.12 O ATOM 44 CB VAL A 483 1.528 -7.472 -7.890 1.00 31.31 C ATOM 45 CG1 VAL A 483 1.644 -8.393 -6.685 1.00 1.14 C ATOM 46 CG2 VAL A 483 0.412 -7.931 -8.816 1.00 71.41 C ATOM 0 H VAL A 483 2.222 -5.955 -5.562 1.00 0.34 H new ATOM 0 HA VAL A 483 1.351 -5.363 -8.307 1.00 53.33 H new ATOM 0 HB VAL A 483 2.467 -7.514 -8.441 1.00 31.31 H new ATOM 0 HG11 VAL A 483 1.811 -9.416 -7.023 1.00 1.14 H new ATOM 0 HG12 VAL A 483 2.481 -8.075 -6.063 1.00 1.14 H new ATOM 0 HG13 VAL A 483 0.723 -8.349 -6.104 1.00 1.14 H new ATOM 0 HG21 VAL A 483 0.596 -8.960 -9.125 1.00 71.41 H new ATOM 0 HG22 VAL A 483 -0.542 -7.874 -8.292 1.00 71.41 H new ATOM 0 HG23 VAL A 483 0.382 -7.288 -9.696 1.00 71.41 H new ATOM 56 N GLY A 484 -0.200 -6.264 -5.542 1.00 64.31 N ATOM 57 CA GLY A 484 -1.475 -6.199 -4.854 1.00 34.45 C ATOM 58 C GLY A 484 -1.925 -7.552 -4.338 1.00 33.00 C ATOM 59 O GLY A 484 -3.122 -7.799 -4.185 1.00 63.03 O ATOM 0 H GLY A 484 0.578 -6.595 -4.972 1.00 64.31 H new ATOM 0 HA2 GLY A 484 -1.399 -5.502 -4.019 1.00 34.45 H new ATOM 0 HA3 GLY A 484 -2.231 -5.803 -5.532 1.00 34.45 H new ATOM 63 N ASP A 485 -0.965 -8.431 -4.071 1.00 15.43 N ATOM 64 CA ASP A 485 -1.269 -9.766 -3.570 1.00 31.11 C ATOM 65 C ASP A 485 -2.191 -9.695 -2.356 1.00 41.15 C ATOM 66 O ASP A 485 -1.751 -9.393 -1.248 1.00 22.14 O ATOM 67 CB ASP A 485 0.021 -10.502 -3.204 1.00 34.23 C ATOM 68 CG ASP A 485 -0.098 -12.003 -3.383 1.00 14.10 C ATOM 69 OD1 ASP A 485 -1.075 -12.586 -2.867 1.00 44.01 O ATOM 70 OD2 ASP A 485 0.785 -12.594 -4.038 1.00 61.44 O ATOM 0 H ASP A 485 0.030 -8.243 -4.193 1.00 15.43 H new ATOM 0 HA ASP A 485 -1.781 -10.316 -4.360 1.00 31.11 H new ATOM 0 HB2 ASP A 485 0.837 -10.129 -3.823 1.00 34.23 H new ATOM 0 HB3 ASP A 485 0.280 -10.282 -2.168 1.00 34.23 H new ATOM 75 N MET A 486 -3.472 -9.974 -2.576 1.00 3.35 N ATOM 76 CA MET A 486 -4.455 -9.941 -1.499 1.00 74.24 C ATOM 77 C MET A 486 -5.148 -11.293 -1.355 1.00 3.33 C ATOM 78 O MET A 486 -5.793 -11.772 -2.287 1.00 2.23 O ATOM 79 CB MET A 486 -5.494 -8.849 -1.762 1.00 3.44 C ATOM 80 CG MET A 486 -6.700 -8.923 -0.839 1.00 42.43 C ATOM 81 SD MET A 486 -7.325 -7.295 -0.382 1.00 12.52 S ATOM 82 CE MET A 486 -8.488 -6.993 -1.710 1.00 34.20 C ATOM 0 H MET A 486 -3.853 -10.225 -3.488 1.00 3.35 H new ATOM 0 HA MET A 486 -3.932 -9.719 -0.569 1.00 74.24 H new ATOM 0 HB2 MET A 486 -5.020 -7.874 -1.650 1.00 3.44 H new ATOM 0 HB3 MET A 486 -5.833 -8.922 -2.795 1.00 3.44 H new ATOM 0 HG2 MET A 486 -7.493 -9.488 -1.328 1.00 42.43 H new ATOM 0 HG3 MET A 486 -6.429 -9.470 0.064 1.00 42.43 H new ATOM 0 HE1 MET A 486 -8.958 -6.020 -1.568 1.00 34.20 H new ATOM 0 HE2 MET A 486 -7.962 -7.005 -2.664 1.00 34.20 H new ATOM 0 HE3 MET A 486 -9.253 -7.770 -1.707 1.00 34.20 H new ATOM 92 N GLN A 487 -5.009 -11.901 -0.181 1.00 64.23 N ATOM 93 CA GLN A 487 -5.620 -13.198 0.083 1.00 33.05 C ATOM 94 C GLN A 487 -5.914 -13.368 1.570 1.00 12.03 C ATOM 95 O GLN A 487 -5.545 -12.523 2.387 1.00 30.44 O ATOM 96 CB GLN A 487 -4.706 -14.325 -0.400 1.00 31.11 C ATOM 97 CG GLN A 487 -4.338 -14.221 -1.871 1.00 61.21 C ATOM 98 CD GLN A 487 -3.454 -15.363 -2.334 1.00 3.55 C ATOM 99 OE1 GLN A 487 -3.940 -16.373 -2.843 1.00 1.40 O ATOM 100 NE2 GLN A 487 -2.147 -15.208 -2.158 1.00 44.42 N ATOM 0 H GLN A 487 -4.479 -11.517 0.601 1.00 64.23 H new ATOM 0 HA GLN A 487 -6.562 -13.245 -0.463 1.00 33.05 H new ATOM 0 HB2 GLN A 487 -3.793 -14.322 0.196 1.00 31.11 H new ATOM 0 HB3 GLN A 487 -5.198 -15.282 -0.224 1.00 31.11 H new ATOM 0 HG2 GLN A 487 -5.249 -14.206 -2.469 1.00 61.21 H new ATOM 0 HG3 GLN A 487 -3.825 -13.275 -2.047 1.00 61.21 H new ATOM 0 HE21 GLN A 487 -1.788 -14.354 -1.732 1.00 44.42 H new ATOM 0 HE22 GLN A 487 -1.502 -15.943 -2.449 1.00 44.42 H new ATOM 109 N LEU A 488 -6.581 -14.464 1.915 1.00 63.21 N ATOM 110 CA LEU A 488 -6.925 -14.745 3.304 1.00 21.34 C ATOM 111 C LEU A 488 -6.174 -15.971 3.814 1.00 5.13 C ATOM 112 O LEU A 488 -6.464 -17.099 3.417 1.00 34.54 O ATOM 113 CB LEU A 488 -8.433 -14.963 3.443 1.00 64.10 C ATOM 114 CG LEU A 488 -8.993 -14.894 4.864 1.00 50.31 C ATOM 115 CD1 LEU A 488 -8.828 -13.494 5.435 1.00 10.01 C ATOM 116 CD2 LEU A 488 -10.457 -15.310 4.881 1.00 42.42 C ATOM 0 H LEU A 488 -6.894 -15.173 1.252 1.00 63.21 H new ATOM 0 HA LEU A 488 -6.631 -13.885 3.906 1.00 21.34 H new ATOM 0 HB2 LEU A 488 -8.945 -14.217 2.835 1.00 64.10 H new ATOM 0 HB3 LEU A 488 -8.679 -15.939 3.024 1.00 64.10 H new ATOM 0 HG LEU A 488 -8.432 -15.588 5.490 1.00 50.31 H new ATOM 0 HD11 LEU A 488 -9.232 -13.464 6.447 1.00 10.01 H new ATOM 0 HD12 LEU A 488 -7.770 -13.233 5.459 1.00 10.01 H new ATOM 0 HD13 LEU A 488 -9.364 -12.780 4.809 1.00 10.01 H new ATOM 0 HD21 LEU A 488 -10.839 -15.255 5.900 1.00 42.42 H new ATOM 0 HD22 LEU A 488 -11.033 -14.641 4.241 1.00 42.42 H new ATOM 0 HD23 LEU A 488 -10.549 -16.332 4.514 1.00 42.42 H new ATOM 128 N TYR A 489 -5.208 -15.741 4.697 1.00 22.30 N ATOM 129 CA TYR A 489 -4.414 -16.827 5.261 1.00 14.45 C ATOM 130 C TYR A 489 -4.844 -17.128 6.694 1.00 55.11 C ATOM 131 O TYR A 489 -4.672 -16.304 7.592 1.00 3.21 O ATOM 132 CB TYR A 489 -2.927 -16.470 5.228 1.00 73.21 C ATOM 133 CG TYR A 489 -2.537 -15.611 4.047 1.00 51.24 C ATOM 134 CD1 TYR A 489 -2.647 -14.227 4.103 1.00 45.05 C ATOM 135 CD2 TYR A 489 -2.058 -16.183 2.875 1.00 61.24 C ATOM 136 CE1 TYR A 489 -2.292 -13.438 3.025 1.00 21.33 C ATOM 137 CE2 TYR A 489 -1.700 -15.402 1.793 1.00 65.22 C ATOM 138 CZ TYR A 489 -1.819 -14.030 1.873 1.00 62.41 C ATOM 139 OH TYR A 489 -1.463 -13.248 0.798 1.00 31.12 O ATOM 0 H TYR A 489 -4.956 -14.813 5.037 1.00 22.30 H new ATOM 0 HA TYR A 489 -4.581 -17.718 4.655 1.00 14.45 H new ATOM 0 HB2 TYR A 489 -2.667 -15.947 6.148 1.00 73.21 H new ATOM 0 HB3 TYR A 489 -2.342 -17.389 5.207 1.00 73.21 H new ATOM 0 HD1 TYR A 489 -3.016 -13.760 5.004 1.00 45.05 H new ATOM 0 HD2 TYR A 489 -1.964 -17.257 2.809 1.00 61.24 H new ATOM 0 HE1 TYR A 489 -2.385 -12.364 3.085 1.00 21.33 H new ATOM 0 HE2 TYR A 489 -1.329 -15.863 0.890 1.00 65.22 H new ATOM 0 HH TYR A 489 -0.934 -13.780 0.168 1.00 31.12 H new ATOM 149 N ARG A 490 -5.405 -18.315 6.899 1.00 31.30 N ATOM 150 CA ARG A 490 -5.861 -18.727 8.221 1.00 1.23 C ATOM 151 C ARG A 490 -4.868 -19.691 8.863 1.00 62.41 C ATOM 152 O ARG A 490 -4.437 -20.661 8.238 1.00 73.02 O ATOM 153 CB ARG A 490 -7.239 -19.384 8.127 1.00 21.44 C ATOM 154 CG ARG A 490 -7.260 -20.633 7.261 1.00 71.01 C ATOM 155 CD ARG A 490 -7.258 -21.897 8.106 1.00 60.43 C ATOM 156 NE ARG A 490 -8.147 -22.920 7.562 1.00 34.41 N ATOM 157 CZ ARG A 490 -8.198 -24.167 8.017 1.00 32.32 C ATOM 158 NH1 ARG A 490 -7.415 -24.543 9.019 1.00 70.42 N ATOM 159 NH2 ARG A 490 -9.034 -25.041 7.471 1.00 51.15 N ATOM 0 H ARG A 490 -5.555 -19.009 6.166 1.00 31.30 H new ATOM 0 HA ARG A 490 -5.933 -17.837 8.846 1.00 1.23 H new ATOM 0 HB2 ARG A 490 -7.578 -19.642 9.130 1.00 21.44 H new ATOM 0 HB3 ARG A 490 -7.950 -18.662 7.726 1.00 21.44 H new ATOM 0 HG2 ARG A 490 -8.145 -20.621 6.625 1.00 71.01 H new ATOM 0 HG3 ARG A 490 -6.393 -20.634 6.601 1.00 71.01 H new ATOM 0 HD2 ARG A 490 -6.244 -22.292 8.165 1.00 60.43 H new ATOM 0 HD3 ARG A 490 -7.565 -21.654 9.123 1.00 60.43 H new ATOM 0 HE ARG A 490 -8.763 -22.663 6.790 1.00 34.41 H new ATOM 0 HH11 ARG A 490 -6.772 -23.874 9.442 1.00 70.42 H new ATOM 0 HH12 ARG A 490 -7.456 -25.501 9.367 1.00 70.42 H new ATOM 0 HH21 ARG A 490 -9.639 -24.756 6.701 1.00 51.15 H new ATOM 0 HH22 ARG A 490 -9.072 -25.998 7.822 1.00 51.15 H new ATOM 173 N ILE A 491 -4.508 -19.418 10.112 1.00 14.05 N ATOM 174 CA ILE A 491 -3.567 -20.262 10.838 1.00 1.40 C ATOM 175 C ILE A 491 -4.286 -21.136 11.859 1.00 35.12 C ATOM 176 O ILE A 491 -5.470 -20.941 12.133 1.00 72.23 O ATOM 177 CB ILE A 491 -2.499 -19.420 11.561 1.00 22.33 C ATOM 178 CG1 ILE A 491 -3.128 -18.645 12.721 1.00 40.14 C ATOM 179 CG2 ILE A 491 -1.824 -18.469 10.585 1.00 4.30 C ATOM 180 CD1 ILE A 491 -2.140 -17.791 13.483 1.00 5.23 C ATOM 0 H ILE A 491 -4.854 -18.619 10.643 1.00 14.05 H new ATOM 0 HA ILE A 491 -3.079 -20.898 10.100 1.00 1.40 H new ATOM 0 HB ILE A 491 -1.741 -20.091 11.966 1.00 22.33 H new ATOM 0 HG12 ILE A 491 -3.923 -18.008 12.333 1.00 40.14 H new ATOM 0 HG13 ILE A 491 -3.592 -19.351 13.409 1.00 40.14 H new ATOM 0 HG21 ILE A 491 -1.072 -17.881 11.111 1.00 4.30 H new ATOM 0 HG22 ILE A 491 -1.346 -19.042 9.790 1.00 4.30 H new ATOM 0 HG23 ILE A 491 -2.570 -17.801 10.153 1.00 4.30 H new ATOM 0 HD11 ILE A 491 -2.655 -17.271 14.290 1.00 5.23 H new ATOM 0 HD12 ILE A 491 -1.358 -18.425 13.901 1.00 5.23 H new ATOM 0 HD13 ILE A 491 -1.693 -17.061 12.808 1.00 5.23 H new ATOM 192 N GLU A 492 -3.562 -22.099 12.421 1.00 71.13 N ATOM 193 CA GLU A 492 -4.132 -23.003 13.413 1.00 50.10 C ATOM 194 C GLU A 492 -3.790 -22.544 14.827 1.00 5.34 C ATOM 195 O GLU A 492 -3.274 -23.317 15.635 1.00 13.54 O ATOM 196 CB GLU A 492 -3.622 -24.428 13.190 1.00 24.10 C ATOM 197 CG GLU A 492 -4.474 -25.492 13.862 1.00 43.22 C ATOM 198 CD GLU A 492 -3.670 -26.712 14.268 1.00 74.11 C ATOM 199 OE1 GLU A 492 -4.243 -27.610 14.919 1.00 31.33 O ATOM 200 OE2 GLU A 492 -2.468 -26.768 13.934 1.00 74.55 O ATOM 0 H GLU A 492 -2.580 -22.273 12.206 1.00 71.13 H new ATOM 0 HA GLU A 492 -5.216 -22.991 13.298 1.00 50.10 H new ATOM 0 HB2 GLU A 492 -3.584 -24.628 12.119 1.00 24.10 H new ATOM 0 HB3 GLU A 492 -2.601 -24.502 13.564 1.00 24.10 H new ATOM 0 HG2 GLU A 492 -4.952 -25.066 14.744 1.00 43.22 H new ATOM 0 HG3 GLU A 492 -5.271 -25.796 13.184 1.00 43.22 H new ATOM 207 N VAL A 493 -4.079 -21.280 15.119 1.00 12.43 N ATOM 208 CA VAL A 493 -3.803 -20.716 16.435 1.00 31.44 C ATOM 209 C VAL A 493 -4.887 -19.727 16.848 1.00 31.24 C ATOM 210 O VAL A 493 -5.300 -18.877 16.060 1.00 25.33 O ATOM 211 CB VAL A 493 -2.437 -20.006 16.467 1.00 63.25 C ATOM 212 CG1 VAL A 493 -2.021 -19.710 17.899 1.00 31.14 C ATOM 213 CG2 VAL A 493 -1.384 -20.847 15.760 1.00 3.41 C ATOM 0 H VAL A 493 -4.505 -20.627 14.461 1.00 12.43 H new ATOM 0 HA VAL A 493 -3.788 -21.549 17.138 1.00 31.44 H new ATOM 0 HB VAL A 493 -2.528 -19.057 15.938 1.00 63.25 H new ATOM 0 HG11 VAL A 493 -1.053 -19.208 17.900 1.00 31.14 H new ATOM 0 HG12 VAL A 493 -2.765 -19.066 18.368 1.00 31.14 H new ATOM 0 HG13 VAL A 493 -1.946 -20.644 18.457 1.00 31.14 H new ATOM 0 HG21 VAL A 493 -0.425 -20.331 15.792 1.00 3.41 H new ATOM 0 HG22 VAL A 493 -1.294 -21.812 16.259 1.00 3.41 H new ATOM 0 HG23 VAL A 493 -1.679 -21.002 14.722 1.00 3.41 H new ATOM 223 N GLY A 494 -5.345 -19.844 18.091 1.00 31.02 N ATOM 224 CA GLY A 494 -6.378 -18.953 18.588 1.00 25.31 C ATOM 225 C GLY A 494 -6.204 -18.627 20.058 1.00 24.22 C ATOM 226 O GLY A 494 -5.162 -18.918 20.646 1.00 2.23 O ATOM 0 H GLY A 494 -5.019 -20.539 18.762 1.00 31.02 H new ATOM 0 HA2 GLY A 494 -6.365 -18.029 18.010 1.00 25.31 H new ATOM 0 HA3 GLY A 494 -7.355 -19.412 18.434 1.00 25.31 H new ATOM 230 N ARG A 495 -7.225 -18.020 20.653 1.00 34.30 N ATOM 231 CA ARG A 495 -7.179 -17.652 22.063 1.00 54.32 C ATOM 232 C ARG A 495 -6.880 -18.869 22.934 1.00 54.55 C ATOM 233 O ARG A 495 -6.220 -18.758 23.967 1.00 52.23 O ATOM 234 CB ARG A 495 -8.505 -17.019 22.490 1.00 72.01 C ATOM 235 CG ARG A 495 -9.726 -17.815 22.059 1.00 15.23 C ATOM 236 CD ARG A 495 -10.992 -17.295 22.722 1.00 33.05 C ATOM 237 NE ARG A 495 -12.086 -18.260 22.646 1.00 0.13 N ATOM 238 CZ ARG A 495 -13.357 -17.950 22.879 1.00 24.42 C ATOM 239 NH1 ARG A 495 -13.692 -16.709 23.201 1.00 43.41 N ATOM 240 NH2 ARG A 495 -14.295 -18.884 22.790 1.00 72.10 N ATOM 0 H ARG A 495 -8.095 -17.772 20.181 1.00 34.30 H new ATOM 0 HA ARG A 495 -6.377 -16.926 22.197 1.00 54.32 H new ATOM 0 HB2 ARG A 495 -8.515 -16.913 23.575 1.00 72.01 H new ATOM 0 HB3 ARG A 495 -8.570 -16.015 22.071 1.00 72.01 H new ATOM 0 HG2 ARG A 495 -9.833 -17.761 20.976 1.00 15.23 H new ATOM 0 HG3 ARG A 495 -9.586 -18.865 22.314 1.00 15.23 H new ATOM 0 HD2 ARG A 495 -10.785 -17.063 23.767 1.00 33.05 H new ATOM 0 HD3 ARG A 495 -11.296 -16.364 22.243 1.00 33.05 H new ATOM 0 HE ARG A 495 -11.862 -19.224 22.401 1.00 0.13 H new ATOM 0 HH11 ARG A 495 -12.973 -15.988 23.271 1.00 43.41 H new ATOM 0 HH12 ARG A 495 -14.668 -16.474 23.379 1.00 43.41 H new ATOM 0 HH21 ARG A 495 -14.041 -19.840 22.543 1.00 72.10 H new ATOM 0 HH22 ARG A 495 -15.271 -18.646 22.969 1.00 72.10 H new ATOM 254 N ASP A 496 -7.371 -20.028 22.509 1.00 1.12 N ATOM 255 CA ASP A 496 -7.156 -21.266 23.249 1.00 0.25 C ATOM 256 C ASP A 496 -5.718 -21.750 23.093 1.00 3.43 C ATOM 257 O ASP A 496 -5.236 -22.562 23.883 1.00 13.03 O ATOM 258 CB ASP A 496 -8.126 -22.347 22.770 1.00 42.12 C ATOM 259 CG ASP A 496 -8.517 -23.306 23.876 1.00 24.54 C ATOM 260 OD1 ASP A 496 -7.754 -24.263 24.129 1.00 53.34 O ATOM 261 OD2 ASP A 496 -9.585 -23.102 24.490 1.00 52.21 O ATOM 0 H ASP A 496 -7.920 -20.136 21.656 1.00 1.12 H new ATOM 0 HA ASP A 496 -7.340 -21.066 24.304 1.00 0.25 H new ATOM 0 HB2 ASP A 496 -9.023 -21.874 22.369 1.00 42.12 H new ATOM 0 HB3 ASP A 496 -7.668 -22.906 21.954 1.00 42.12 H new ATOM 266 N ASP A 497 -5.038 -21.246 22.069 1.00 25.14 N ATOM 267 CA ASP A 497 -3.654 -21.627 21.809 1.00 10.22 C ATOM 268 C ASP A 497 -2.688 -20.636 22.452 1.00 61.42 C ATOM 269 O ASP A 497 -1.657 -21.025 23.000 1.00 73.45 O ATOM 270 CB ASP A 497 -3.398 -21.704 20.303 1.00 14.32 C ATOM 271 CG ASP A 497 -2.110 -22.430 19.971 1.00 4.21 C ATOM 272 OD1 ASP A 497 -1.162 -22.357 20.781 1.00 24.21 O ATOM 273 OD2 ASP A 497 -2.049 -23.071 18.902 1.00 73.34 O ATOM 0 H ASP A 497 -5.422 -20.573 21.406 1.00 25.14 H new ATOM 0 HA ASP A 497 -3.485 -22.610 22.249 1.00 10.22 H new ATOM 0 HB2 ASP A 497 -4.233 -22.213 19.821 1.00 14.32 H new ATOM 0 HB3 ASP A 497 -3.359 -20.695 19.892 1.00 14.32 H new ATOM 278 N GLY A 498 -3.029 -19.353 22.379 1.00 25.25 N ATOM 279 CA GLY A 498 -2.180 -18.327 22.957 1.00 54.11 C ATOM 280 C GLY A 498 -1.965 -17.157 22.018 1.00 50.42 C ATOM 281 O GLY A 498 -0.889 -16.560 21.995 1.00 44.33 O ATOM 0 H GLY A 498 -3.877 -19.006 21.931 1.00 25.25 H new ATOM 0 HA2 GLY A 498 -2.628 -17.968 23.883 1.00 54.11 H new ATOM 0 HA3 GLY A 498 -1.215 -18.762 23.217 1.00 54.11 H new ATOM 285 N VAL A 499 -2.991 -16.828 21.239 1.00 31.02 N ATOM 286 CA VAL A 499 -2.909 -15.722 20.293 1.00 12.20 C ATOM 287 C VAL A 499 -4.172 -14.869 20.334 1.00 74.24 C ATOM 288 O VAL A 499 -5.260 -15.368 20.621 1.00 50.13 O ATOM 289 CB VAL A 499 -2.691 -16.228 18.855 1.00 61.31 C ATOM 290 CG1 VAL A 499 -3.995 -16.744 18.267 1.00 73.34 C ATOM 291 CG2 VAL A 499 -2.103 -15.127 17.986 1.00 54.41 C ATOM 0 H VAL A 499 -3.889 -17.312 21.245 1.00 31.02 H new ATOM 0 HA VAL A 499 -2.054 -15.115 20.590 1.00 12.20 H new ATOM 0 HB VAL A 499 -1.981 -17.055 18.883 1.00 61.31 H new ATOM 0 HG11 VAL A 499 -3.821 -17.097 17.251 1.00 73.34 H new ATOM 0 HG12 VAL A 499 -4.370 -17.566 18.878 1.00 73.34 H new ATOM 0 HG13 VAL A 499 -4.730 -15.940 18.251 1.00 73.34 H new ATOM 0 HG21 VAL A 499 -1.956 -15.502 16.973 1.00 54.41 H new ATOM 0 HG22 VAL A 499 -2.786 -14.278 17.962 1.00 54.41 H new ATOM 0 HG23 VAL A 499 -1.145 -14.810 18.399 1.00 54.41 H new ATOM 301 N GLU A 500 -4.020 -13.581 20.044 1.00 41.24 N ATOM 302 CA GLU A 500 -5.149 -12.659 20.048 1.00 55.34 C ATOM 303 C GLU A 500 -5.231 -11.893 18.730 1.00 11.33 C ATOM 304 O GLU A 500 -4.486 -12.170 17.791 1.00 64.14 O ATOM 305 CB GLU A 500 -5.031 -11.676 21.215 1.00 65.52 C ATOM 306 CG GLU A 500 -4.564 -12.322 22.509 1.00 72.34 C ATOM 307 CD GLU A 500 -5.165 -11.667 23.737 1.00 22.22 C ATOM 308 OE1 GLU A 500 -5.339 -10.431 23.724 1.00 1.50 O ATOM 309 OE2 GLU A 500 -5.460 -12.390 24.711 1.00 33.33 O ATOM 0 H GLU A 500 -3.126 -13.153 19.803 1.00 41.24 H new ATOM 0 HA GLU A 500 -6.061 -13.244 20.166 1.00 55.34 H new ATOM 0 HB2 GLU A 500 -4.335 -10.883 20.942 1.00 65.52 H new ATOM 0 HB3 GLU A 500 -6.000 -11.206 21.382 1.00 65.52 H new ATOM 0 HG2 GLU A 500 -4.829 -13.379 22.499 1.00 72.34 H new ATOM 0 HG3 GLU A 500 -3.477 -12.266 22.567 1.00 72.34 H new ATOM 316 N VAL A 501 -6.143 -10.927 18.669 1.00 21.43 N ATOM 317 CA VAL A 501 -6.323 -10.120 17.468 1.00 22.44 C ATOM 318 C VAL A 501 -5.218 -9.079 17.336 1.00 44.42 C ATOM 319 O VAL A 501 -4.824 -8.714 16.228 1.00 51.03 O ATOM 320 CB VAL A 501 -7.688 -9.407 17.471 1.00 61.13 C ATOM 321 CG1 VAL A 501 -7.828 -8.518 16.244 1.00 34.53 C ATOM 322 CG2 VAL A 501 -8.819 -10.422 17.536 1.00 21.40 C ATOM 0 H VAL A 501 -6.768 -10.685 19.437 1.00 21.43 H new ATOM 0 HA VAL A 501 -6.280 -10.801 16.618 1.00 22.44 H new ATOM 0 HB VAL A 501 -7.747 -8.775 18.357 1.00 61.13 H new ATOM 0 HG11 VAL A 501 -8.799 -8.022 16.263 1.00 34.53 H new ATOM 0 HG12 VAL A 501 -7.037 -7.768 16.246 1.00 34.53 H new ATOM 0 HG13 VAL A 501 -7.749 -9.126 15.343 1.00 34.53 H new ATOM 0 HG21 VAL A 501 -9.776 -9.901 17.537 1.00 21.40 H new ATOM 0 HG22 VAL A 501 -8.766 -11.082 16.670 1.00 21.40 H new ATOM 0 HG23 VAL A 501 -8.726 -11.012 18.448 1.00 21.40 H new ATOM 332 N ARG A 502 -4.720 -8.603 18.473 1.00 74.50 N ATOM 333 CA ARG A 502 -3.660 -7.603 18.484 1.00 14.41 C ATOM 334 C ARG A 502 -2.286 -8.266 18.465 1.00 52.35 C ATOM 335 O ARG A 502 -1.259 -7.588 18.432 1.00 65.01 O ATOM 336 CB ARG A 502 -3.789 -6.707 19.718 1.00 44.25 C ATOM 337 CG ARG A 502 -3.854 -7.477 21.026 1.00 64.51 C ATOM 338 CD ARG A 502 -3.611 -6.568 22.221 1.00 73.34 C ATOM 339 NE ARG A 502 -2.193 -6.465 22.551 1.00 45.22 N ATOM 340 CZ ARG A 502 -1.703 -5.592 23.425 1.00 71.14 C ATOM 341 NH1 ARG A 502 -2.514 -4.752 24.053 1.00 71.13 N ATOM 342 NH2 ARG A 502 -0.400 -5.559 23.672 1.00 41.32 N ATOM 0 H ARG A 502 -5.034 -8.894 19.399 1.00 74.50 H new ATOM 0 HA ARG A 502 -3.761 -6.992 17.587 1.00 14.41 H new ATOM 0 HB2 ARG A 502 -2.941 -6.024 19.750 1.00 44.25 H new ATOM 0 HB3 ARG A 502 -4.687 -6.096 19.621 1.00 44.25 H new ATOM 0 HG2 ARG A 502 -4.830 -7.952 21.122 1.00 64.51 H new ATOM 0 HG3 ARG A 502 -3.111 -8.274 21.017 1.00 64.51 H new ATOM 0 HD2 ARG A 502 -4.006 -5.575 22.007 1.00 73.34 H new ATOM 0 HD3 ARG A 502 -4.157 -6.950 23.084 1.00 73.34 H new ATOM 0 HE ARG A 502 -1.542 -7.098 22.085 1.00 45.22 H new ATOM 0 HH11 ARG A 502 -3.516 -4.775 23.866 1.00 71.13 H new ATOM 0 HH12 ARG A 502 -2.136 -4.083 24.723 1.00 71.13 H new ATOM 0 HH21 ARG A 502 0.227 -6.204 23.191 1.00 41.32 H new ATOM 0 HH22 ARG A 502 -0.025 -4.889 24.343 1.00 41.32 H new ATOM 356 N HIS A 503 -2.276 -9.595 18.485 1.00 1.21 N ATOM 357 CA HIS A 503 -1.028 -10.350 18.470 1.00 50.03 C ATOM 358 C HIS A 503 -0.517 -10.526 17.043 1.00 41.41 C ATOM 359 O HIS A 503 0.605 -10.131 16.722 1.00 33.24 O ATOM 360 CB HIS A 503 -1.227 -11.717 19.125 1.00 64.24 C ATOM 361 CG HIS A 503 -0.006 -12.227 19.828 1.00 74.55 C ATOM 362 ND1 HIS A 503 1.262 -11.746 19.580 1.00 54.32 N ATOM 363 CD2 HIS A 503 0.134 -13.182 20.777 1.00 62.12 C ATOM 364 CE1 HIS A 503 2.130 -12.383 20.345 1.00 74.00 C ATOM 365 NE2 HIS A 503 1.471 -13.260 21.081 1.00 10.33 N ATOM 0 H HIS A 503 -3.117 -10.171 18.512 1.00 1.21 H new ATOM 0 HA HIS A 503 -0.285 -9.789 19.037 1.00 50.03 H new ATOM 0 HB2 HIS A 503 -2.048 -11.653 19.840 1.00 64.24 H new ATOM 0 HB3 HIS A 503 -1.524 -12.437 18.362 1.00 64.24 H new ATOM 0 HD2 HIS A 503 -0.658 -13.772 21.214 1.00 62.12 H new ATOM 0 HE1 HIS A 503 3.197 -12.215 20.365 1.00 74.00 H new ATOM 0 HE2 HIS A 503 1.888 -13.892 21.764 1.00 10.33 H new ATOM 373 N ILE A 504 -1.346 -11.120 16.192 1.00 51.15 N ATOM 374 CA ILE A 504 -0.978 -11.347 14.800 1.00 45.03 C ATOM 375 C ILE A 504 -0.925 -10.035 14.024 1.00 64.20 C ATOM 376 O ILE A 504 -0.219 -9.922 13.022 1.00 65.01 O ATOM 377 CB ILE A 504 -1.966 -12.302 14.104 1.00 24.03 C ATOM 378 CG1 ILE A 504 -3.253 -11.561 13.738 1.00 12.14 C ATOM 379 CG2 ILE A 504 -2.270 -13.493 15.000 1.00 31.42 C ATOM 380 CD1 ILE A 504 -4.107 -11.205 14.936 1.00 44.15 C ATOM 0 H ILE A 504 -2.277 -11.453 16.442 1.00 51.15 H new ATOM 0 HA ILE A 504 0.012 -11.803 14.806 1.00 45.03 H new ATOM 0 HB ILE A 504 -1.508 -12.670 13.186 1.00 24.03 H new ATOM 0 HG12 ILE A 504 -2.997 -10.648 13.200 1.00 12.14 H new ATOM 0 HG13 ILE A 504 -3.837 -12.179 13.056 1.00 12.14 H new ATOM 0 HG21 ILE A 504 -2.969 -14.159 14.495 1.00 31.42 H new ATOM 0 HG22 ILE A 504 -1.347 -14.031 15.215 1.00 31.42 H new ATOM 0 HG23 ILE A 504 -2.712 -13.143 15.933 1.00 31.42 H new ATOM 0 HD11 ILE A 504 -5.003 -10.682 14.602 1.00 44.15 H new ATOM 0 HD12 ILE A 504 -4.394 -12.116 15.462 1.00 44.15 H new ATOM 0 HD13 ILE A 504 -3.540 -10.561 15.608 1.00 44.15 H new ATOM 392 N VAL A 505 -1.675 -9.045 14.495 1.00 13.53 N ATOM 393 CA VAL A 505 -1.712 -7.739 13.848 1.00 10.40 C ATOM 394 C VAL A 505 -0.494 -6.904 14.226 1.00 43.44 C ATOM 395 O VAL A 505 0.266 -6.469 13.361 1.00 25.32 O ATOM 396 CB VAL A 505 -2.989 -6.962 14.222 1.00 23.44 C ATOM 397 CG1 VAL A 505 -2.899 -5.522 13.741 1.00 62.43 C ATOM 398 CG2 VAL A 505 -4.218 -7.650 13.647 1.00 3.02 C ATOM 0 H VAL A 505 -2.266 -9.122 15.323 1.00 13.53 H new ATOM 0 HA VAL A 505 -1.707 -7.919 12.773 1.00 10.40 H new ATOM 0 HB VAL A 505 -3.082 -6.951 15.308 1.00 23.44 H new ATOM 0 HG11 VAL A 505 -3.810 -4.989 14.014 1.00 62.43 H new ATOM 0 HG12 VAL A 505 -2.041 -5.036 14.206 1.00 62.43 H new ATOM 0 HG13 VAL A 505 -2.781 -5.507 12.657 1.00 62.43 H new ATOM 0 HG21 VAL A 505 -5.111 -7.088 13.921 1.00 3.02 H new ATOM 0 HG22 VAL A 505 -4.136 -7.694 12.561 1.00 3.02 H new ATOM 0 HG23 VAL A 505 -4.289 -8.662 14.047 1.00 3.02 H new ATOM 408 N GLY A 506 -0.314 -6.683 15.524 1.00 5.14 N ATOM 409 CA GLY A 506 0.815 -5.901 15.994 1.00 11.44 C ATOM 410 C GLY A 506 2.146 -6.513 15.607 1.00 23.13 C ATOM 411 O GLY A 506 3.168 -5.828 15.581 1.00 2.14 O ATOM 0 H GLY A 506 -0.930 -7.031 16.259 1.00 5.14 H new ATOM 0 HA2 GLY A 506 0.750 -4.893 15.585 1.00 11.44 H new ATOM 0 HA3 GLY A 506 0.763 -5.809 17.079 1.00 11.44 H new ATOM 415 N ALA A 507 2.135 -7.808 15.307 1.00 4.32 N ATOM 416 CA ALA A 507 3.351 -8.512 14.920 1.00 61.25 C ATOM 417 C ALA A 507 3.743 -8.181 13.483 1.00 22.35 C ATOM 418 O ALA A 507 4.829 -7.657 13.232 1.00 72.52 O ATOM 419 CB ALA A 507 3.167 -10.013 15.086 1.00 60.42 C ATOM 0 H ALA A 507 1.298 -8.390 15.325 1.00 4.32 H new ATOM 0 HA ALA A 507 4.157 -8.181 15.575 1.00 61.25 H new ATOM 0 HB1 ALA A 507 4.083 -10.526 14.793 1.00 60.42 H new ATOM 0 HB2 ALA A 507 2.942 -10.239 16.128 1.00 60.42 H new ATOM 0 HB3 ALA A 507 2.344 -10.351 14.455 1.00 60.42 H new ATOM 425 N ILE A 508 2.854 -8.491 12.546 1.00 11.31 N ATOM 426 CA ILE A 508 3.108 -8.225 11.135 1.00 31.45 C ATOM 427 C ILE A 508 3.156 -6.727 10.858 1.00 0.30 C ATOM 428 O ILE A 508 3.881 -6.272 9.973 1.00 14.14 O ATOM 429 CB ILE A 508 2.033 -8.868 10.239 1.00 14.33 C ATOM 430 CG1 ILE A 508 0.654 -8.288 10.564 1.00 63.11 C ATOM 431 CG2 ILE A 508 2.032 -10.379 10.413 1.00 30.11 C ATOM 432 CD1 ILE A 508 0.217 -7.199 9.610 1.00 52.12 C ATOM 0 H ILE A 508 1.952 -8.926 12.738 1.00 11.31 H new ATOM 0 HA ILE A 508 4.077 -8.666 10.900 1.00 31.45 H new ATOM 0 HB ILE A 508 2.266 -8.642 9.198 1.00 14.33 H new ATOM 0 HG12 ILE A 508 -0.082 -9.092 10.547 1.00 63.11 H new ATOM 0 HG13 ILE A 508 0.667 -7.888 11.578 1.00 63.11 H new ATOM 0 HG21 ILE A 508 1.267 -10.818 9.773 1.00 30.11 H new ATOM 0 HG22 ILE A 508 3.008 -10.778 10.137 1.00 30.11 H new ATOM 0 HG23 ILE A 508 1.820 -10.625 11.453 1.00 30.11 H new ATOM 0 HD11 ILE A 508 -0.768 -6.835 9.901 1.00 52.12 H new ATOM 0 HD12 ILE A 508 0.932 -6.377 9.644 1.00 52.12 H new ATOM 0 HD13 ILE A 508 0.172 -7.599 8.597 1.00 52.12 H new ATOM 444 N ALA A 509 2.380 -5.964 11.622 1.00 45.15 N ATOM 445 CA ALA A 509 2.337 -4.516 11.461 1.00 44.12 C ATOM 446 C ALA A 509 3.650 -3.875 11.901 1.00 74.43 C ATOM 447 O ALA A 509 4.008 -2.793 11.439 1.00 63.34 O ATOM 448 CB ALA A 509 1.173 -3.932 12.247 1.00 1.12 C ATOM 0 H ALA A 509 1.773 -6.325 12.358 1.00 45.15 H new ATOM 0 HA ALA A 509 2.193 -4.297 10.403 1.00 44.12 H new ATOM 0 HB1 ALA A 509 1.153 -2.850 12.118 1.00 1.12 H new ATOM 0 HB2 ALA A 509 0.238 -4.358 11.883 1.00 1.12 H new ATOM 0 HB3 ALA A 509 1.293 -4.169 13.304 1.00 1.12 H new ATOM 454 N ASN A 510 4.361 -4.551 12.797 1.00 22.11 N ATOM 455 CA ASN A 510 5.634 -4.047 13.300 1.00 14.44 C ATOM 456 C ASN A 510 6.802 -4.646 12.523 1.00 10.35 C ATOM 457 O ASN A 510 7.877 -4.053 12.446 1.00 3.41 O ATOM 458 CB ASN A 510 5.779 -4.366 14.790 1.00 65.14 C ATOM 459 CG ASN A 510 6.787 -3.465 15.478 1.00 33.42 C ATOM 460 OD1 ASN A 510 7.218 -2.457 14.919 1.00 2.13 O ATOM 461 ND2 ASN A 510 7.166 -3.827 16.698 1.00 2.23 N ATOM 0 H ASN A 510 4.078 -5.449 13.190 1.00 22.11 H new ATOM 0 HA ASN A 510 5.648 -2.966 13.164 1.00 14.44 H new ATOM 0 HB2 ASN A 510 4.810 -4.261 15.277 1.00 65.14 H new ATOM 0 HB3 ASN A 510 6.085 -5.406 14.908 1.00 65.14 H new ATOM 0 HD21 ASN A 510 7.841 -3.261 17.211 1.00 2.23 H new ATOM 0 HD22 ASN A 510 6.782 -4.671 17.122 1.00 2.23 H new ATOM 468 N GLU A 511 6.582 -5.824 11.950 1.00 73.54 N ATOM 469 CA GLU A 511 7.617 -6.503 11.179 1.00 73.51 C ATOM 470 C GLU A 511 8.007 -5.684 9.952 1.00 5.04 C ATOM 471 O GLU A 511 9.177 -5.629 9.576 1.00 64.11 O ATOM 472 CB GLU A 511 7.135 -7.890 10.747 1.00 23.22 C ATOM 473 CG GLU A 511 7.351 -8.964 11.800 1.00 35.31 C ATOM 474 CD GLU A 511 8.814 -9.151 12.152 1.00 34.13 C ATOM 475 OE1 GLU A 511 9.675 -8.778 11.329 1.00 11.21 O ATOM 476 OE2 GLU A 511 9.097 -9.671 13.252 1.00 14.11 O ATOM 0 H GLU A 511 5.697 -6.328 12.005 1.00 73.54 H new ATOM 0 HA GLU A 511 8.495 -6.613 11.816 1.00 73.51 H new ATOM 0 HB2 GLU A 511 6.073 -7.838 10.506 1.00 23.22 H new ATOM 0 HB3 GLU A 511 7.656 -8.178 9.834 1.00 23.22 H new ATOM 0 HG2 GLU A 511 6.795 -8.702 12.700 1.00 35.31 H new ATOM 0 HG3 GLU A 511 6.945 -9.909 11.439 1.00 35.31 H new ATOM 483 N GLY A 512 7.018 -5.048 9.333 1.00 74.35 N ATOM 484 CA GLY A 512 7.277 -4.241 8.155 1.00 41.11 C ATOM 485 C GLY A 512 6.640 -2.868 8.241 1.00 23.13 C ATOM 486 O GLY A 512 6.681 -2.223 9.289 1.00 54.52 O ATOM 0 H GLY A 512 6.041 -5.077 9.626 1.00 74.35 H new ATOM 0 HA2 GLY A 512 8.353 -4.131 8.023 1.00 41.11 H new ATOM 0 HA3 GLY A 512 6.899 -4.759 7.273 1.00 41.11 H new ATOM 490 N ASP A 513 6.052 -2.420 7.138 1.00 44.04 N ATOM 491 CA ASP A 513 5.405 -1.114 7.093 1.00 73.14 C ATOM 492 C ASP A 513 3.901 -1.245 7.315 1.00 23.35 C ATOM 493 O ASP A 513 3.214 -0.257 7.572 1.00 14.43 O ATOM 494 CB ASP A 513 5.676 -0.432 5.751 1.00 63.43 C ATOM 495 CG ASP A 513 6.932 0.417 5.776 1.00 21.43 C ATOM 496 OD1 ASP A 513 6.941 1.482 5.126 1.00 54.32 O ATOM 497 OD2 ASP A 513 7.907 0.015 6.446 1.00 32.12 O ATOM 0 H ASP A 513 6.010 -2.942 6.263 1.00 44.04 H new ATOM 0 HA ASP A 513 5.821 -0.502 7.893 1.00 73.14 H new ATOM 0 HB2 ASP A 513 5.769 -1.190 4.974 1.00 63.43 H new ATOM 0 HB3 ASP A 513 4.823 0.193 5.486 1.00 63.43 H new ATOM 502 N ILE A 514 3.398 -2.471 7.214 1.00 1.25 N ATOM 503 CA ILE A 514 1.976 -2.731 7.405 1.00 5.51 C ATOM 504 C ILE A 514 1.476 -2.120 8.710 1.00 24.51 C ATOM 505 O ILE A 514 2.186 -2.112 9.716 1.00 63.34 O ATOM 506 CB ILE A 514 1.676 -4.241 7.409 1.00 13.01 C ATOM 507 CG1 ILE A 514 2.100 -4.871 6.081 1.00 22.20 C ATOM 508 CG2 ILE A 514 0.197 -4.486 7.669 1.00 12.21 C ATOM 509 CD1 ILE A 514 2.518 -6.320 6.206 1.00 51.33 C ATOM 0 H ILE A 514 3.954 -3.299 7.001 1.00 1.25 H new ATOM 0 HA ILE A 514 1.455 -2.268 6.567 1.00 5.51 H new ATOM 0 HB ILE A 514 2.249 -4.708 8.210 1.00 13.01 H new ATOM 0 HG12 ILE A 514 1.274 -4.799 5.374 1.00 22.20 H new ATOM 0 HG13 ILE A 514 2.927 -4.297 5.664 1.00 22.20 H new ATOM 0 HG21 ILE A 514 0.000 -5.558 7.669 1.00 12.21 H new ATOM 0 HG22 ILE A 514 -0.076 -4.067 8.637 1.00 12.21 H new ATOM 0 HG23 ILE A 514 -0.394 -4.009 6.887 1.00 12.21 H new ATOM 0 HD11 ILE A 514 2.806 -6.702 5.226 1.00 51.33 H new ATOM 0 HD12 ILE A 514 3.365 -6.397 6.888 1.00 51.33 H new ATOM 0 HD13 ILE A 514 1.685 -6.907 6.594 1.00 51.33 H new ATOM 521 N SER A 515 0.249 -1.612 8.687 1.00 55.11 N ATOM 522 CA SER A 515 -0.347 -0.998 9.868 1.00 42.31 C ATOM 523 C SER A 515 -1.564 -1.789 10.336 1.00 14.23 C ATOM 524 O SER A 515 -2.075 -2.647 9.617 1.00 61.31 O ATOM 525 CB SER A 515 -0.748 0.448 9.569 1.00 1.24 C ATOM 526 OG SER A 515 -0.650 1.255 10.730 1.00 24.24 O ATOM 0 H SER A 515 -0.353 -1.613 7.863 1.00 55.11 H new ATOM 0 HA SER A 515 0.397 -1.004 10.665 1.00 42.31 H new ATOM 0 HB2 SER A 515 -0.106 0.852 8.786 1.00 1.24 H new ATOM 0 HB3 SER A 515 -1.769 0.474 9.189 1.00 1.24 H new ATOM 0 HG SER A 515 -0.910 2.174 10.512 1.00 24.24 H new ATOM 532 N SER A 516 -2.024 -1.493 11.548 1.00 54.33 N ATOM 533 CA SER A 516 -3.180 -2.178 12.115 1.00 25.13 C ATOM 534 C SER A 516 -4.445 -1.852 11.328 1.00 33.42 C ATOM 535 O SER A 516 -5.407 -2.621 11.333 1.00 50.15 O ATOM 536 CB SER A 516 -3.362 -1.785 13.582 1.00 13.24 C ATOM 537 OG SER A 516 -2.381 -2.398 14.401 1.00 40.42 O ATOM 0 H SER A 516 -1.614 -0.784 12.156 1.00 54.33 H new ATOM 0 HA SER A 516 -3.002 -3.252 12.053 1.00 25.13 H new ATOM 0 HB2 SER A 516 -3.298 -0.701 13.682 1.00 13.24 H new ATOM 0 HB3 SER A 516 -4.356 -2.078 13.919 1.00 13.24 H new ATOM 0 HG SER A 516 -2.519 -2.129 15.333 1.00 40.42 H new ATOM 543 N ARG A 517 -4.437 -0.707 10.653 1.00 23.45 N ATOM 544 CA ARG A 517 -5.584 -0.278 9.862 1.00 24.24 C ATOM 545 C ARG A 517 -5.436 -0.716 8.408 1.00 22.53 C ATOM 546 O ARG A 517 -6.426 -0.960 7.719 1.00 34.50 O ATOM 547 CB ARG A 517 -5.740 1.242 9.935 1.00 61.13 C ATOM 548 CG ARG A 517 -4.475 2.002 9.569 1.00 15.12 C ATOM 549 CD ARG A 517 -4.788 3.424 9.129 1.00 21.21 C ATOM 550 NE ARG A 517 -3.630 4.304 9.260 1.00 40.22 N ATOM 551 CZ ARG A 517 -3.502 5.453 8.605 1.00 74.33 C ATOM 552 NH1 ARG A 517 -4.456 5.858 7.778 1.00 75.30 N ATOM 553 NH2 ARG A 517 -2.419 6.199 8.777 1.00 42.05 N ATOM 0 H ARG A 517 -3.649 -0.060 10.638 1.00 23.45 H new ATOM 0 HA ARG A 517 -6.476 -0.748 10.276 1.00 24.24 H new ATOM 0 HB2 ARG A 517 -6.544 1.549 9.267 1.00 61.13 H new ATOM 0 HB3 ARG A 517 -6.041 1.520 10.945 1.00 61.13 H new ATOM 0 HG2 ARG A 517 -3.802 2.025 10.426 1.00 15.12 H new ATOM 0 HG3 ARG A 517 -3.953 1.478 8.768 1.00 15.12 H new ATOM 0 HD2 ARG A 517 -5.123 3.417 8.092 1.00 21.21 H new ATOM 0 HD3 ARG A 517 -5.611 3.816 9.727 1.00 21.21 H new ATOM 0 HE ARG A 517 -2.878 4.021 9.889 1.00 40.22 H new ATOM 0 HH11 ARG A 517 -5.291 5.287 7.643 1.00 75.30 H new ATOM 0 HH12 ARG A 517 -4.355 6.740 7.276 1.00 75.30 H new ATOM 0 HH21 ARG A 517 -1.683 5.891 9.413 1.00 42.05 H new ATOM 0 HH22 ARG A 517 -2.322 7.081 8.274 1.00 42.05 H new ATOM 567 N TYR A 518 -4.193 -0.814 7.949 1.00 53.43 N ATOM 568 CA TYR A 518 -3.916 -1.219 6.576 1.00 63.40 C ATOM 569 C TYR A 518 -4.344 -2.664 6.338 1.00 73.03 C ATOM 570 O TYR A 518 -4.829 -3.010 5.260 1.00 45.45 O ATOM 571 CB TYR A 518 -2.426 -1.060 6.266 1.00 13.21 C ATOM 572 CG TYR A 518 -2.152 -0.308 4.983 1.00 1.03 C ATOM 573 CD1 TYR A 518 -2.618 -0.782 3.763 1.00 22.34 C ATOM 574 CD2 TYR A 518 -1.427 0.878 4.992 1.00 73.34 C ATOM 575 CE1 TYR A 518 -2.369 -0.099 2.589 1.00 4.01 C ATOM 576 CE2 TYR A 518 -1.175 1.569 3.822 1.00 24.42 C ATOM 577 CZ TYR A 518 -1.647 1.076 2.624 1.00 61.04 C ATOM 578 OH TYR A 518 -1.398 1.760 1.456 1.00 2.40 O ATOM 0 H TYR A 518 -3.362 -0.619 8.507 1.00 53.43 H new ATOM 0 HA TYR A 518 -4.490 -0.574 5.911 1.00 63.40 H new ATOM 0 HB2 TYR A 518 -1.945 -0.538 7.093 1.00 13.21 H new ATOM 0 HB3 TYR A 518 -1.969 -2.048 6.203 1.00 13.21 H new ATOM 0 HD1 TYR A 518 -3.185 -1.701 3.732 1.00 22.34 H new ATOM 0 HD2 TYR A 518 -1.055 1.266 5.929 1.00 73.34 H new ATOM 0 HE1 TYR A 518 -2.737 -0.482 1.649 1.00 4.01 H new ATOM 0 HE2 TYR A 518 -0.611 2.490 3.846 1.00 24.42 H new ATOM 0 HH TYR A 518 -0.878 2.567 1.654 1.00 2.40 H new ATOM 588 N ILE A 519 -4.163 -3.503 7.352 1.00 0.10 N ATOM 589 CA ILE A 519 -4.532 -4.910 7.255 1.00 51.34 C ATOM 590 C ILE A 519 -5.995 -5.068 6.856 1.00 14.30 C ATOM 591 O ILE A 519 -6.851 -4.287 7.271 1.00 23.04 O ATOM 592 CB ILE A 519 -4.291 -5.648 8.584 1.00 32.34 C ATOM 593 CG1 ILE A 519 -2.816 -5.561 8.982 1.00 52.24 C ATOM 594 CG2 ILE A 519 -4.730 -7.101 8.470 1.00 5.35 C ATOM 595 CD1 ILE A 519 -2.601 -5.369 10.466 1.00 3.45 C ATOM 0 H ILE A 519 -3.763 -3.233 8.251 1.00 0.10 H new ATOM 0 HA ILE A 519 -3.898 -5.350 6.485 1.00 51.34 H new ATOM 0 HB ILE A 519 -4.886 -5.169 9.361 1.00 32.34 H new ATOM 0 HG12 ILE A 519 -2.308 -6.472 8.664 1.00 52.24 H new ATOM 0 HG13 ILE A 519 -2.352 -4.733 8.446 1.00 52.24 H new ATOM 0 HG21 ILE A 519 -4.553 -7.610 9.418 1.00 5.35 H new ATOM 0 HG22 ILE A 519 -5.792 -7.142 8.228 1.00 5.35 H new ATOM 0 HG23 ILE A 519 -4.159 -7.593 7.682 1.00 5.35 H new ATOM 0 HD11 ILE A 519 -1.533 -5.316 10.675 1.00 3.45 H new ATOM 0 HD12 ILE A 519 -3.080 -4.444 10.786 1.00 3.45 H new ATOM 0 HD13 ILE A 519 -3.035 -6.209 11.008 1.00 3.45 H new ATOM 607 N GLY A 520 -6.277 -6.086 6.048 1.00 3.22 N ATOM 608 CA GLY A 520 -7.638 -6.329 5.608 1.00 21.41 C ATOM 609 C GLY A 520 -8.515 -6.881 6.714 1.00 21.44 C ATOM 610 O GLY A 520 -8.682 -6.249 7.756 1.00 32.45 O ATOM 0 H GLY A 520 -5.587 -6.747 5.691 1.00 3.22 H new ATOM 0 HA2 GLY A 520 -8.068 -5.399 5.237 1.00 21.41 H new ATOM 0 HA3 GLY A 520 -7.627 -7.030 4.773 1.00 21.41 H new ATOM 614 N ASN A 521 -9.078 -8.064 6.487 1.00 43.20 N ATOM 615 CA ASN A 521 -9.944 -8.700 7.472 1.00 15.14 C ATOM 616 C ASN A 521 -9.152 -9.658 8.357 1.00 43.34 C ATOM 617 O ASN A 521 -8.435 -10.527 7.860 1.00 30.32 O ATOM 618 CB ASN A 521 -11.079 -9.453 6.774 1.00 25.11 C ATOM 619 CG ASN A 521 -12.064 -8.518 6.100 1.00 71.43 C ATOM 620 OD1 ASN A 521 -11.692 -7.448 5.619 1.00 11.43 O ATOM 621 ND2 ASN A 521 -13.329 -8.920 6.061 1.00 31.32 N ATOM 0 H ASN A 521 -8.950 -8.601 5.629 1.00 43.20 H new ATOM 0 HA ASN A 521 -10.369 -7.919 8.103 1.00 15.14 H new ATOM 0 HB2 ASN A 521 -10.659 -10.131 6.031 1.00 25.11 H new ATOM 0 HB3 ASN A 521 -11.606 -10.067 7.504 1.00 25.11 H new ATOM 0 HD21 ASN A 521 -14.037 -8.334 5.619 1.00 31.32 H new ATOM 0 HD22 ASN A 521 -13.593 -9.815 6.473 1.00 31.32 H new ATOM 628 N ILE A 522 -9.286 -9.492 9.668 1.00 12.10 N ATOM 629 CA ILE A 522 -8.584 -10.343 10.621 1.00 52.40 C ATOM 630 C ILE A 522 -9.564 -11.068 11.537 1.00 55.33 C ATOM 631 O ILE A 522 -10.470 -10.456 12.105 1.00 65.21 O ATOM 632 CB ILE A 522 -7.600 -9.530 11.482 1.00 3.34 C ATOM 633 CG1 ILE A 522 -6.736 -8.630 10.596 1.00 3.24 C ATOM 634 CG2 ILE A 522 -6.728 -10.461 12.311 1.00 5.22 C ATOM 635 CD1 ILE A 522 -7.046 -7.157 10.747 1.00 42.13 C ATOM 0 H ILE A 522 -9.874 -8.776 10.095 1.00 12.10 H new ATOM 0 HA ILE A 522 -8.026 -11.076 10.038 1.00 52.40 H new ATOM 0 HB ILE A 522 -8.171 -8.898 12.162 1.00 3.34 H new ATOM 0 HG12 ILE A 522 -5.686 -8.798 10.835 1.00 3.24 H new ATOM 0 HG13 ILE A 522 -6.876 -8.918 9.554 1.00 3.24 H new ATOM 0 HG21 ILE A 522 -6.038 -9.872 12.914 1.00 5.22 H new ATOM 0 HG22 ILE A 522 -7.358 -11.063 12.965 1.00 5.22 H new ATOM 0 HG23 ILE A 522 -6.162 -11.116 11.648 1.00 5.22 H new ATOM 0 HD11 ILE A 522 -6.396 -6.579 10.090 1.00 42.13 H new ATOM 0 HD12 ILE A 522 -8.087 -6.975 10.480 1.00 42.13 H new ATOM 0 HD13 ILE A 522 -6.879 -6.854 11.781 1.00 42.13 H new ATOM 647 N LYS A 523 -9.377 -12.376 11.677 1.00 14.43 N ATOM 648 CA LYS A 523 -10.242 -13.186 12.527 1.00 54.14 C ATOM 649 C LYS A 523 -9.457 -13.786 13.688 1.00 2.13 C ATOM 650 O LYS A 523 -8.245 -13.987 13.594 1.00 52.41 O ATOM 651 CB LYS A 523 -10.895 -14.302 11.708 1.00 60.02 C ATOM 652 CG LYS A 523 -12.130 -14.895 12.363 1.00 13.54 C ATOM 653 CD LYS A 523 -12.514 -16.222 11.732 1.00 75.03 C ATOM 654 CE LYS A 523 -11.945 -17.396 12.513 1.00 72.41 C ATOM 655 NZ LYS A 523 -11.685 -18.572 11.636 1.00 13.13 N ATOM 0 H LYS A 523 -8.634 -12.898 11.213 1.00 14.43 H new ATOM 0 HA LYS A 523 -11.019 -12.539 12.934 1.00 54.14 H new ATOM 0 HB2 LYS A 523 -11.167 -13.910 10.728 1.00 60.02 H new ATOM 0 HB3 LYS A 523 -10.165 -15.095 11.543 1.00 60.02 H new ATOM 0 HG2 LYS A 523 -11.945 -15.038 13.428 1.00 13.54 H new ATOM 0 HG3 LYS A 523 -12.961 -14.195 12.275 1.00 13.54 H new ATOM 0 HD2 LYS A 523 -13.600 -16.305 11.689 1.00 75.03 H new ATOM 0 HD3 LYS A 523 -12.150 -16.256 10.705 1.00 75.03 H new ATOM 0 HE2 LYS A 523 -11.018 -17.093 12.999 1.00 72.41 H new ATOM 0 HE3 LYS A 523 -12.641 -17.679 13.303 1.00 72.41 H new ATOM 0 HZ1 LYS A 523 -11.298 -19.351 12.206 1.00 13.13 H new ATOM 0 HZ2 LYS A 523 -12.574 -18.877 11.191 1.00 13.13 H new ATOM 0 HZ3 LYS A 523 -11.001 -18.310 10.898 1.00 13.13 H new ATOM 669 N LEU A 524 -10.154 -14.072 14.783 1.00 43.54 N ATOM 670 CA LEU A 524 -9.521 -14.651 15.963 1.00 54.32 C ATOM 671 C LEU A 524 -10.452 -15.649 16.644 1.00 3.15 C ATOM 672 O LEU A 524 -11.263 -15.278 17.492 1.00 15.15 O ATOM 673 CB LEU A 524 -9.128 -13.548 16.948 1.00 61.34 C ATOM 674 CG LEU A 524 -8.148 -13.951 18.050 1.00 61.40 C ATOM 675 CD1 LEU A 524 -8.838 -14.828 19.083 1.00 12.04 C ATOM 676 CD2 LEU A 524 -6.944 -14.670 17.457 1.00 14.52 C ATOM 0 H LEU A 524 -11.157 -13.912 14.878 1.00 43.54 H new ATOM 0 HA LEU A 524 -8.623 -15.179 15.642 1.00 54.32 H new ATOM 0 HB2 LEU A 524 -8.691 -12.724 16.384 1.00 61.34 H new ATOM 0 HB3 LEU A 524 -10.035 -13.167 17.417 1.00 61.34 H new ATOM 0 HG LEU A 524 -7.798 -13.046 18.547 1.00 61.40 H new ATOM 0 HD11 LEU A 524 -8.125 -15.105 19.860 1.00 12.04 H new ATOM 0 HD12 LEU A 524 -9.667 -14.280 19.530 1.00 12.04 H new ATOM 0 HD13 LEU A 524 -9.217 -15.729 18.601 1.00 12.04 H new ATOM 0 HD21 LEU A 524 -6.257 -14.949 18.256 1.00 14.52 H new ATOM 0 HD22 LEU A 524 -7.277 -15.567 16.934 1.00 14.52 H new ATOM 0 HD23 LEU A 524 -6.435 -14.009 16.755 1.00 14.52 H new ATOM 688 N PHE A 525 -10.326 -16.918 16.270 1.00 55.33 N ATOM 689 CA PHE A 525 -11.155 -17.970 16.846 1.00 72.43 C ATOM 690 C PHE A 525 -10.457 -18.623 18.035 1.00 1.54 C ATOM 691 O PHE A 525 -9.461 -18.108 18.543 1.00 40.42 O ATOM 692 CB PHE A 525 -11.481 -19.028 15.789 1.00 52.31 C ATOM 693 CG PHE A 525 -12.942 -19.370 15.714 1.00 42.22 C ATOM 694 CD1 PHE A 525 -13.369 -20.678 15.871 1.00 74.34 C ATOM 695 CD2 PHE A 525 -13.887 -18.383 15.486 1.00 51.31 C ATOM 696 CE1 PHE A 525 -14.713 -20.996 15.803 1.00 62.55 C ATOM 697 CE2 PHE A 525 -15.232 -18.695 15.417 1.00 2.22 C ATOM 698 CZ PHE A 525 -15.645 -20.003 15.574 1.00 30.34 C ATOM 0 H PHE A 525 -9.658 -17.243 15.571 1.00 55.33 H new ATOM 0 HA PHE A 525 -12.083 -17.516 17.195 1.00 72.43 H new ATOM 0 HB2 PHE A 525 -11.149 -18.671 14.814 1.00 52.31 H new ATOM 0 HB3 PHE A 525 -10.915 -19.934 16.006 1.00 52.31 H new ATOM 0 HD1 PHE A 525 -12.644 -21.459 16.049 1.00 74.34 H new ATOM 0 HD2 PHE A 525 -13.569 -17.358 15.361 1.00 51.31 H new ATOM 0 HE1 PHE A 525 -15.033 -22.020 15.929 1.00 62.55 H new ATOM 0 HE2 PHE A 525 -15.959 -17.916 15.240 1.00 2.22 H new ATOM 0 HZ PHE A 525 -16.695 -20.249 15.518 1.00 30.34 H new ATOM 708 N ALA A 526 -10.988 -19.759 18.475 1.00 3.33 N ATOM 709 CA ALA A 526 -10.416 -20.483 19.604 1.00 43.52 C ATOM 710 C ALA A 526 -9.047 -21.055 19.252 1.00 61.12 C ATOM 711 O ALA A 526 -8.102 -20.955 20.034 1.00 43.00 O ATOM 712 CB ALA A 526 -11.356 -21.593 20.050 1.00 44.22 C ATOM 0 H ALA A 526 -11.813 -20.198 18.067 1.00 3.33 H new ATOM 0 HA ALA A 526 -10.286 -19.780 20.427 1.00 43.52 H new ATOM 0 HB1 ALA A 526 -10.916 -22.125 20.893 1.00 44.22 H new ATOM 0 HB2 ALA A 526 -12.311 -21.162 20.351 1.00 44.22 H new ATOM 0 HB3 ALA A 526 -11.515 -22.288 19.226 1.00 44.22 H new ATOM 718 N SER A 527 -8.948 -21.656 18.070 1.00 20.13 N ATOM 719 CA SER A 527 -7.695 -22.249 17.617 1.00 73.02 C ATOM 720 C SER A 527 -7.430 -21.906 16.154 1.00 1.32 C ATOM 721 O SER A 527 -6.846 -22.698 15.414 1.00 24.15 O ATOM 722 CB SER A 527 -7.730 -23.768 17.798 1.00 55.23 C ATOM 723 OG SER A 527 -6.423 -24.315 17.773 1.00 14.34 O ATOM 0 H SER A 527 -9.720 -21.745 17.409 1.00 20.13 H new ATOM 0 HA SER A 527 -6.887 -21.837 18.221 1.00 73.02 H new ATOM 0 HB2 SER A 527 -8.212 -24.014 18.744 1.00 55.23 H new ATOM 0 HB3 SER A 527 -8.331 -24.218 17.008 1.00 55.23 H new ATOM 0 HG SER A 527 -5.961 -24.021 16.960 1.00 14.34 H new ATOM 729 N HIS A 528 -7.864 -20.718 15.743 1.00 21.24 N ATOM 730 CA HIS A 528 -7.673 -20.268 14.369 1.00 33.12 C ATOM 731 C HIS A 528 -7.681 -18.744 14.290 1.00 32.45 C ATOM 732 O HIS A 528 -8.147 -18.068 15.208 1.00 62.23 O ATOM 733 CB HIS A 528 -8.765 -20.843 13.466 1.00 11.30 C ATOM 734 CG HIS A 528 -8.564 -22.288 13.128 1.00 11.15 C ATOM 735 ND1 HIS A 528 -7.625 -22.725 12.219 1.00 45.34 N ATOM 736 CD2 HIS A 528 -9.187 -23.399 13.586 1.00 12.13 C ATOM 737 CE1 HIS A 528 -7.680 -24.042 12.130 1.00 4.40 C ATOM 738 NE2 HIS A 528 -8.619 -24.475 12.950 1.00 35.53 N ATOM 0 H HIS A 528 -8.350 -20.050 16.342 1.00 21.24 H new ATOM 0 HA HIS A 528 -6.702 -20.627 14.027 1.00 33.12 H new ATOM 0 HB2 HIS A 528 -9.731 -20.724 13.957 1.00 11.30 H new ATOM 0 HB3 HIS A 528 -8.804 -20.265 12.543 1.00 11.30 H new ATOM 0 HD1 HIS A 528 -6.987 -22.125 11.696 1.00 45.34 H new ATOM 0 HD2 HIS A 528 -9.983 -23.433 14.316 1.00 12.13 H new ATOM 0 HE1 HIS A 528 -7.062 -24.659 11.495 1.00 4.40 H new ATOM 746 N SER A 529 -7.162 -18.211 13.189 1.00 10.24 N ATOM 747 CA SER A 529 -7.105 -16.767 12.993 1.00 11.02 C ATOM 748 C SER A 529 -6.761 -16.429 11.546 1.00 43.41 C ATOM 749 O SER A 529 -5.838 -17.000 10.964 1.00 4.14 O ATOM 750 CB SER A 529 -6.073 -16.143 13.934 1.00 24.43 C ATOM 751 OG SER A 529 -5.018 -17.050 14.207 1.00 40.11 O ATOM 0 H SER A 529 -6.775 -18.757 12.419 1.00 10.24 H new ATOM 0 HA SER A 529 -8.088 -16.355 13.220 1.00 11.02 H new ATOM 0 HB2 SER A 529 -5.669 -15.235 13.486 1.00 24.43 H new ATOM 0 HB3 SER A 529 -6.556 -15.851 14.866 1.00 24.43 H new ATOM 0 HG SER A 529 -5.229 -17.564 15.014 1.00 40.11 H new ATOM 757 N THR A 530 -7.510 -15.494 10.969 1.00 71.33 N ATOM 758 CA THR A 530 -7.286 -15.079 9.590 1.00 75.44 C ATOM 759 C THR A 530 -6.712 -13.669 9.526 1.00 1.22 C ATOM 760 O THR A 530 -6.745 -12.930 10.511 1.00 71.30 O ATOM 761 CB THR A 530 -8.590 -15.128 8.770 1.00 3.00 C ATOM 762 OG1 THR A 530 -9.433 -14.026 9.124 1.00 4.12 O ATOM 763 CG2 THR A 530 -9.330 -16.436 9.007 1.00 2.33 C ATOM 0 H THR A 530 -8.277 -15.010 11.436 1.00 71.33 H new ATOM 0 HA THR A 530 -6.569 -15.780 9.162 1.00 75.44 H new ATOM 0 HB THR A 530 -8.331 -15.062 7.713 1.00 3.00 H new ATOM 0 HG1 THR A 530 -10.259 -14.063 8.597 1.00 4.12 H new ATOM 0 HG21 THR A 530 -10.247 -16.447 8.418 1.00 2.33 H new ATOM 0 HG22 THR A 530 -8.697 -17.272 8.709 1.00 2.33 H new ATOM 0 HG23 THR A 530 -9.577 -16.528 10.065 1.00 2.33 H new ATOM 771 N ILE A 531 -6.186 -13.301 8.363 1.00 55.14 N ATOM 772 CA ILE A 531 -5.606 -11.977 8.171 1.00 34.44 C ATOM 773 C ILE A 531 -5.246 -11.741 6.709 1.00 74.15 C ATOM 774 O ILE A 531 -4.741 -12.636 6.032 1.00 41.23 O ATOM 775 CB ILE A 531 -4.347 -11.785 9.036 1.00 4.40 C ATOM 776 CG1 ILE A 531 -3.711 -10.422 8.753 1.00 11.22 C ATOM 777 CG2 ILE A 531 -3.350 -12.904 8.776 1.00 24.15 C ATOM 778 CD1 ILE A 531 -2.813 -9.931 9.867 1.00 13.13 C ATOM 0 H ILE A 531 -6.149 -13.901 7.539 1.00 55.14 H new ATOM 0 HA ILE A 531 -6.362 -11.253 8.477 1.00 34.44 H new ATOM 0 HB ILE A 531 -4.637 -11.820 10.086 1.00 4.40 H new ATOM 0 HG12 ILE A 531 -3.132 -10.485 7.832 1.00 11.22 H new ATOM 0 HG13 ILE A 531 -4.501 -9.690 8.584 1.00 11.22 H new ATOM 0 HG21 ILE A 531 -2.465 -12.754 9.395 1.00 24.15 H new ATOM 0 HG22 ILE A 531 -3.807 -13.863 9.022 1.00 24.15 H new ATOM 0 HG23 ILE A 531 -3.062 -12.898 7.725 1.00 24.15 H new ATOM 0 HD11 ILE A 531 -2.397 -8.960 9.598 1.00 13.13 H new ATOM 0 HD12 ILE A 531 -3.392 -9.836 10.786 1.00 13.13 H new ATOM 0 HD13 ILE A 531 -2.002 -10.643 10.021 1.00 13.13 H new ATOM 790 N GLU A 532 -5.509 -10.530 6.228 1.00 11.32 N ATOM 791 CA GLU A 532 -5.211 -10.176 4.845 1.00 14.13 C ATOM 792 C GLU A 532 -4.205 -9.031 4.781 1.00 2.22 C ATOM 793 O GLU A 532 -4.387 -7.992 5.418 1.00 30.43 O ATOM 794 CB GLU A 532 -6.494 -9.784 4.108 1.00 1.04 C ATOM 795 CG GLU A 532 -6.285 -9.505 2.630 1.00 40.35 C ATOM 796 CD GLU A 532 -5.716 -8.123 2.371 1.00 23.24 C ATOM 797 OE1 GLU A 532 -6.245 -7.148 2.945 1.00 44.32 O ATOM 798 OE2 GLU A 532 -4.742 -8.017 1.597 1.00 74.14 O ATOM 0 H GLU A 532 -5.928 -9.778 6.775 1.00 11.32 H new ATOM 0 HA GLU A 532 -4.773 -11.048 4.360 1.00 14.13 H new ATOM 0 HB2 GLU A 532 -7.225 -10.585 4.218 1.00 1.04 H new ATOM 0 HB3 GLU A 532 -6.918 -8.898 4.580 1.00 1.04 H new ATOM 0 HG2 GLU A 532 -5.612 -10.255 2.214 1.00 40.35 H new ATOM 0 HG3 GLU A 532 -7.236 -9.606 2.107 1.00 40.35 H new ATOM 805 N LEU A 533 -3.142 -9.228 4.009 1.00 53.34 N ATOM 806 CA LEU A 533 -2.105 -8.212 3.861 1.00 72.53 C ATOM 807 C LEU A 533 -2.047 -7.699 2.426 1.00 42.33 C ATOM 808 O LEU A 533 -2.079 -8.466 1.464 1.00 75.33 O ATOM 809 CB LEU A 533 -0.745 -8.782 4.266 1.00 23.22 C ATOM 810 CG LEU A 533 -0.255 -8.418 5.668 1.00 13.13 C ATOM 811 CD1 LEU A 533 -1.322 -8.735 6.705 1.00 23.41 C ATOM 812 CD2 LEU A 533 1.038 -9.152 5.989 1.00 4.01 C ATOM 0 H LEU A 533 -2.975 -10.081 3.476 1.00 53.34 H new ATOM 0 HA LEU A 533 -2.352 -7.377 4.516 1.00 72.53 H new ATOM 0 HB2 LEU A 533 -0.792 -9.868 4.190 1.00 23.22 H new ATOM 0 HB3 LEU A 533 -0.002 -8.443 3.544 1.00 23.22 H new ATOM 0 HG LEU A 533 -0.057 -7.347 5.696 1.00 13.13 H new ATOM 0 HD11 LEU A 533 -0.956 -8.470 7.697 1.00 23.41 H new ATOM 0 HD12 LEU A 533 -2.224 -8.163 6.486 1.00 23.41 H new ATOM 0 HD13 LEU A 533 -1.552 -9.800 6.676 1.00 23.41 H new ATOM 0 HD21 LEU A 533 1.372 -8.880 6.991 1.00 4.01 H new ATOM 0 HD22 LEU A 533 0.867 -10.228 5.943 1.00 4.01 H new ATOM 0 HD23 LEU A 533 1.803 -8.875 5.264 1.00 4.01 H new ATOM 824 N PRO A 534 -1.956 -6.369 2.276 1.00 12.23 N ATOM 825 CA PRO A 534 -1.888 -5.723 0.962 1.00 14.32 C ATOM 826 C PRO A 534 -0.566 -5.991 0.252 1.00 70.01 C ATOM 827 O PRO A 534 -0.383 -5.614 -0.906 1.00 13.01 O ATOM 828 CB PRO A 534 -2.026 -4.234 1.291 1.00 32.23 C ATOM 829 CG PRO A 534 -1.537 -4.109 2.693 1.00 62.22 C ATOM 830 CD PRO A 534 -1.913 -5.394 3.379 1.00 45.43 C ATOM 0 HA PRO A 534 -2.655 -6.097 0.284 1.00 14.32 H new ATOM 0 HB2 PRO A 534 -1.435 -3.622 0.610 1.00 32.23 H new ATOM 0 HB3 PRO A 534 -3.061 -3.903 1.202 1.00 32.23 H new ATOM 0 HG2 PRO A 534 -0.458 -3.955 2.718 1.00 62.22 H new ATOM 0 HG3 PRO A 534 -1.993 -3.253 3.191 1.00 62.22 H new ATOM 0 HD2 PRO A 534 -1.180 -5.675 4.136 1.00 45.43 H new ATOM 0 HD3 PRO A 534 -2.876 -5.314 3.882 1.00 45.43 H new ATOM 838 N LYS A 535 0.354 -6.645 0.952 1.00 23.22 N ATOM 839 CA LYS A 535 1.660 -6.966 0.389 1.00 62.23 C ATOM 840 C LYS A 535 1.522 -7.514 -1.028 1.00 53.11 C ATOM 841 O LYS A 535 0.536 -8.173 -1.356 1.00 12.23 O ATOM 842 CB LYS A 535 2.383 -7.985 1.272 1.00 23.23 C ATOM 843 CG LYS A 535 2.601 -7.508 2.698 1.00 43.03 C ATOM 844 CD LYS A 535 4.006 -6.962 2.894 1.00 34.25 C ATOM 845 CE LYS A 535 4.273 -5.771 1.988 1.00 54.53 C ATOM 846 NZ LYS A 535 3.328 -4.650 2.252 1.00 4.33 N ATOM 0 H LYS A 535 0.219 -6.964 1.912 1.00 23.22 H new ATOM 0 HA LYS A 535 2.246 -6.048 0.350 1.00 62.23 H new ATOM 0 HB2 LYS A 535 1.807 -8.910 1.291 1.00 23.23 H new ATOM 0 HB3 LYS A 535 3.349 -8.220 0.825 1.00 23.23 H new ATOM 0 HG2 LYS A 535 1.872 -6.735 2.940 1.00 43.03 H new ATOM 0 HG3 LYS A 535 2.431 -8.334 3.389 1.00 43.03 H new ATOM 0 HD2 LYS A 535 4.141 -6.666 3.934 1.00 34.25 H new ATOM 0 HD3 LYS A 535 4.734 -7.747 2.689 1.00 34.25 H new ATOM 0 HE2 LYS A 535 5.296 -5.425 2.135 1.00 54.53 H new ATOM 0 HE3 LYS A 535 4.187 -6.081 0.946 1.00 54.53 H new ATOM 0 HZ1 LYS A 535 3.595 -3.827 1.675 1.00 4.33 H new ATOM 0 HZ2 LYS A 535 2.362 -4.946 2.007 1.00 4.33 H new ATOM 0 HZ3 LYS A 535 3.366 -4.393 3.259 1.00 4.33 H new ATOM 860 N GLY A 536 2.518 -7.238 -1.865 1.00 14.32 N ATOM 861 CA GLY A 536 2.487 -7.712 -3.236 1.00 44.41 C ATOM 862 C GLY A 536 3.774 -8.405 -3.638 1.00 72.32 C ATOM 863 O GLY A 536 4.318 -8.145 -4.711 1.00 10.22 O ATOM 0 H GLY A 536 3.345 -6.695 -1.618 1.00 14.32 H new ATOM 0 HA2 GLY A 536 1.652 -8.402 -3.360 1.00 44.41 H new ATOM 0 HA3 GLY A 536 2.307 -6.870 -3.904 1.00 44.41 H new ATOM 867 N MET A 537 4.262 -9.290 -2.775 1.00 30.01 N ATOM 868 CA MET A 537 5.493 -10.023 -3.046 1.00 43.23 C ATOM 869 C MET A 537 5.779 -11.034 -1.940 1.00 44.44 C ATOM 870 O MET A 537 6.735 -10.899 -1.175 1.00 54.04 O ATOM 871 CB MET A 537 6.669 -9.054 -3.184 1.00 50.41 C ATOM 872 CG MET A 537 7.769 -9.559 -4.104 1.00 55.20 C ATOM 873 SD MET A 537 8.701 -8.220 -4.873 1.00 33.44 S ATOM 874 CE MET A 537 10.218 -9.069 -5.304 1.00 2.33 C ATOM 0 H MET A 537 3.824 -9.517 -1.882 1.00 30.01 H new ATOM 0 HA MET A 537 5.365 -10.564 -3.984 1.00 43.23 H new ATOM 0 HB2 MET A 537 6.301 -8.100 -3.561 1.00 50.41 H new ATOM 0 HB3 MET A 537 7.091 -8.865 -2.197 1.00 50.41 H new ATOM 0 HG2 MET A 537 8.451 -10.191 -3.535 1.00 55.20 H new ATOM 0 HG3 MET A 537 7.329 -10.183 -4.882 1.00 55.20 H new ATOM 0 HE1 MET A 537 10.900 -8.371 -5.790 1.00 2.33 H new ATOM 0 HE2 MET A 537 10.684 -9.462 -4.401 1.00 2.33 H new ATOM 0 HE3 MET A 537 9.994 -9.891 -5.984 1.00 2.33 H new ATOM 884 N PRO A 538 4.933 -12.071 -1.852 1.00 3.43 N ATOM 885 CA PRO A 538 5.075 -13.124 -0.842 1.00 64.25 C ATOM 886 C PRO A 538 6.290 -14.011 -1.097 1.00 11.41 C ATOM 887 O PRO A 538 7.052 -13.781 -2.035 1.00 22.51 O ATOM 888 CB PRO A 538 3.784 -13.932 -0.989 1.00 34.21 C ATOM 889 CG PRO A 538 3.347 -13.697 -2.394 1.00 13.25 C ATOM 890 CD PRO A 538 3.773 -12.295 -2.730 1.00 50.33 C ATOM 0 HA PRO A 538 5.226 -12.714 0.156 1.00 64.25 H new ATOM 0 HB2 PRO A 538 3.957 -14.992 -0.800 1.00 34.21 H new ATOM 0 HB3 PRO A 538 3.027 -13.601 -0.278 1.00 34.21 H new ATOM 0 HG2 PRO A 538 3.806 -14.417 -3.071 1.00 13.25 H new ATOM 0 HG3 PRO A 538 2.267 -13.811 -2.491 1.00 13.25 H new ATOM 0 HD2 PRO A 538 4.041 -12.198 -3.782 1.00 50.33 H new ATOM 0 HD3 PRO A 538 2.977 -11.576 -2.536 1.00 50.33 H new ATOM 898 N GLY A 539 6.464 -15.025 -0.255 1.00 13.23 N ATOM 899 CA GLY A 539 7.587 -15.930 -0.406 1.00 64.51 C ATOM 900 C GLY A 539 8.813 -15.465 0.355 1.00 64.55 C ATOM 901 O GLY A 539 9.888 -16.051 0.229 1.00 61.40 O ATOM 0 H GLY A 539 5.847 -15.235 0.529 1.00 13.23 H new ATOM 0 HA2 GLY A 539 7.300 -16.922 -0.056 1.00 64.51 H new ATOM 0 HA3 GLY A 539 7.834 -16.025 -1.463 1.00 64.51 H new ATOM 905 N GLU A 540 8.652 -14.408 1.144 1.00 23.22 N ATOM 906 CA GLU A 540 9.757 -13.864 1.926 1.00 74.04 C ATOM 907 C GLU A 540 9.977 -14.679 3.197 1.00 62.02 C ATOM 908 O GLU A 540 11.064 -15.210 3.427 1.00 51.33 O ATOM 909 CB GLU A 540 9.484 -12.402 2.285 1.00 44.20 C ATOM 910 CG GLU A 540 8.929 -11.585 1.131 1.00 42.44 C ATOM 911 CD GLU A 540 9.098 -10.092 1.338 1.00 15.05 C ATOM 912 OE1 GLU A 540 8.716 -9.598 2.420 1.00 11.41 O ATOM 913 OE2 GLU A 540 9.610 -9.419 0.420 1.00 1.44 O ATOM 0 H GLU A 540 7.769 -13.911 1.259 1.00 23.22 H new ATOM 0 HA GLU A 540 10.661 -13.919 1.319 1.00 74.04 H new ATOM 0 HB2 GLU A 540 8.780 -12.366 3.116 1.00 44.20 H new ATOM 0 HB3 GLU A 540 10.410 -11.943 2.632 1.00 44.20 H new ATOM 0 HG2 GLU A 540 9.430 -11.879 0.209 1.00 42.44 H new ATOM 0 HG3 GLU A 540 7.871 -11.813 1.005 1.00 42.44 H new ATOM 920 N VAL A 541 8.938 -14.773 4.020 1.00 32.21 N ATOM 921 CA VAL A 541 9.016 -15.523 5.268 1.00 65.31 C ATOM 922 C VAL A 541 8.807 -17.014 5.027 1.00 24.11 C ATOM 923 O VAL A 541 9.386 -17.853 5.719 1.00 72.21 O ATOM 924 CB VAL A 541 7.974 -15.028 6.287 1.00 15.13 C ATOM 925 CG1 VAL A 541 8.139 -15.751 7.615 1.00 32.31 C ATOM 926 CG2 VAL A 541 8.085 -13.522 6.474 1.00 73.24 C ATOM 0 H VAL A 541 8.032 -14.339 3.845 1.00 32.21 H new ATOM 0 HA VAL A 541 10.015 -15.360 5.673 1.00 65.31 H new ATOM 0 HB VAL A 541 6.980 -15.251 5.900 1.00 15.13 H new ATOM 0 HG11 VAL A 541 7.394 -15.387 8.322 1.00 32.31 H new ATOM 0 HG12 VAL A 541 8.005 -16.822 7.465 1.00 32.31 H new ATOM 0 HG13 VAL A 541 9.137 -15.562 8.011 1.00 32.31 H new ATOM 0 HG21 VAL A 541 7.341 -13.189 7.198 1.00 73.24 H new ATOM 0 HG22 VAL A 541 9.082 -13.273 6.838 1.00 73.24 H new ATOM 0 HG23 VAL A 541 7.912 -13.023 5.520 1.00 73.24 H new ATOM 936 N LEU A 542 7.977 -17.338 4.042 1.00 45.34 N ATOM 937 CA LEU A 542 7.692 -18.729 3.708 1.00 55.21 C ATOM 938 C LEU A 542 8.944 -19.435 3.199 1.00 21.33 C ATOM 939 O LEU A 542 9.042 -20.661 3.255 1.00 2.32 O ATOM 940 CB LEU A 542 6.586 -18.804 2.653 1.00 1.03 C ATOM 941 CG LEU A 542 5.152 -18.804 3.183 1.00 33.13 C ATOM 942 CD1 LEU A 542 4.722 -17.395 3.562 1.00 25.20 C ATOM 943 CD2 LEU A 542 4.202 -19.394 2.151 1.00 52.31 C ATOM 0 H LEU A 542 7.489 -16.656 3.461 1.00 45.34 H new ATOM 0 HA LEU A 542 7.357 -19.233 4.614 1.00 55.21 H new ATOM 0 HB2 LEU A 542 6.701 -17.959 1.974 1.00 1.03 H new ATOM 0 HB3 LEU A 542 6.734 -19.709 2.064 1.00 1.03 H new ATOM 0 HG LEU A 542 5.116 -19.425 4.078 1.00 33.13 H new ATOM 0 HD11 LEU A 542 3.699 -17.415 3.937 1.00 25.20 H new ATOM 0 HD12 LEU A 542 5.385 -17.008 4.336 1.00 25.20 H new ATOM 0 HD13 LEU A 542 4.774 -16.750 2.685 1.00 25.20 H new ATOM 0 HD21 LEU A 542 3.186 -19.386 2.545 1.00 52.31 H new ATOM 0 HD22 LEU A 542 4.242 -18.800 1.238 1.00 52.31 H new ATOM 0 HD23 LEU A 542 4.497 -20.420 1.929 1.00 52.31 H new ATOM 955 N GLN A 543 9.899 -18.654 2.706 1.00 41.50 N ATOM 956 CA GLN A 543 11.146 -19.205 2.189 1.00 20.12 C ATOM 957 C GLN A 543 12.141 -19.453 3.318 1.00 0.53 C ATOM 958 O GLN A 543 12.587 -20.581 3.531 1.00 54.31 O ATOM 959 CB GLN A 543 11.756 -18.259 1.154 1.00 44.12 C ATOM 960 CG GLN A 543 11.298 -18.536 -0.269 1.00 33.13 C ATOM 961 CD GLN A 543 12.117 -19.617 -0.946 1.00 33.43 C ATOM 962 OE1 GLN A 543 13.150 -19.340 -1.555 1.00 51.33 O ATOM 963 NE2 GLN A 543 11.659 -20.860 -0.842 1.00 12.52 N ATOM 0 H GLN A 543 9.833 -17.637 2.654 1.00 41.50 H new ATOM 0 HA GLN A 543 10.922 -20.159 1.711 1.00 20.12 H new ATOM 0 HB2 GLN A 543 11.499 -17.233 1.416 1.00 44.12 H new ATOM 0 HB3 GLN A 543 12.842 -18.337 1.199 1.00 44.12 H new ATOM 0 HG2 GLN A 543 10.249 -18.834 -0.258 1.00 33.13 H new ATOM 0 HG3 GLN A 543 11.362 -17.618 -0.853 1.00 33.13 H new ATOM 0 HE21 GLN A 543 10.798 -21.045 -0.327 1.00 12.52 H new ATOM 0 HE22 GLN A 543 12.169 -21.629 -1.277 1.00 12.52 H new ATOM 972 N HIS A 544 12.486 -18.391 4.040 1.00 41.33 N ATOM 973 CA HIS A 544 13.429 -18.493 5.148 1.00 51.11 C ATOM 974 C HIS A 544 12.825 -19.285 6.304 1.00 52.51 C ATOM 975 O HIS A 544 13.404 -20.268 6.765 1.00 34.35 O ATOM 976 CB HIS A 544 13.838 -17.100 5.627 1.00 1.13 C ATOM 977 CG HIS A 544 14.834 -16.428 4.734 1.00 45.33 C ATOM 978 ND1 HIS A 544 15.038 -16.797 3.421 1.00 75.22 N ATOM 979 CD2 HIS A 544 15.686 -15.402 4.970 1.00 31.44 C ATOM 980 CE1 HIS A 544 15.972 -16.029 2.889 1.00 30.52 C ATOM 981 NE2 HIS A 544 16.382 -15.174 3.809 1.00 74.33 N ATOM 0 H HIS A 544 12.127 -17.450 3.877 1.00 41.33 H new ATOM 0 HA HIS A 544 14.314 -19.021 4.793 1.00 51.11 H new ATOM 0 HB2 HIS A 544 12.948 -16.474 5.701 1.00 1.13 H new ATOM 0 HB3 HIS A 544 14.257 -17.178 6.630 1.00 1.13 H new ATOM 0 HD2 HIS A 544 15.797 -14.863 5.899 1.00 31.44 H new ATOM 0 HE1 HIS A 544 16.338 -16.090 1.875 1.00 30.52 H new ATOM 0 HE2 HIS A 544 17.099 -14.461 3.678 1.00 74.33 H new ATOM 989 N PHE A 545 11.658 -18.848 6.768 1.00 63.34 N ATOM 990 CA PHE A 545 10.977 -19.515 7.871 1.00 74.01 C ATOM 991 C PHE A 545 10.089 -20.645 7.358 1.00 30.33 C ATOM 992 O PHE A 545 8.940 -20.788 7.779 1.00 63.44 O ATOM 993 CB PHE A 545 10.136 -18.510 8.661 1.00 2.22 C ATOM 994 CG PHE A 545 10.910 -17.790 9.728 1.00 12.53 C ATOM 995 CD1 PHE A 545 10.577 -17.940 11.065 1.00 51.12 C ATOM 996 CD2 PHE A 545 11.970 -16.962 9.395 1.00 53.32 C ATOM 997 CE1 PHE A 545 11.287 -17.279 12.049 1.00 11.24 C ATOM 998 CE2 PHE A 545 12.684 -16.298 10.375 1.00 74.51 C ATOM 999 CZ PHE A 545 12.341 -16.456 11.704 1.00 60.23 C ATOM 0 H PHE A 545 11.165 -18.036 6.397 1.00 63.34 H new ATOM 0 HA PHE A 545 11.735 -19.941 8.528 1.00 74.01 H new ATOM 0 HB2 PHE A 545 9.716 -17.778 7.971 1.00 2.22 H new ATOM 0 HB3 PHE A 545 9.297 -19.032 9.121 1.00 2.22 H new ATOM 0 HD1 PHE A 545 9.753 -18.581 11.341 1.00 51.12 H new ATOM 0 HD2 PHE A 545 12.242 -16.834 8.358 1.00 53.32 H new ATOM 0 HE1 PHE A 545 11.018 -17.406 13.087 1.00 11.24 H new ATOM 0 HE2 PHE A 545 13.509 -15.657 10.102 1.00 74.51 H new ATOM 0 HZ PHE A 545 12.896 -15.937 12.471 1.00 60.23 H new ATOM 1009 N THR A 546 10.630 -21.447 6.446 1.00 74.11 N ATOM 1010 CA THR A 546 9.888 -22.563 5.874 1.00 72.53 C ATOM 1011 C THR A 546 9.889 -23.764 6.813 1.00 4.23 C ATOM 1012 O THR A 546 9.044 -24.652 6.702 1.00 1.03 O ATOM 1013 CB THR A 546 10.474 -22.989 4.514 1.00 33.32 C ATOM 1014 OG1 THR A 546 9.569 -23.876 3.847 1.00 31.31 O ATOM 1015 CG2 THR A 546 11.821 -23.673 4.696 1.00 54.24 C ATOM 0 H THR A 546 11.580 -21.344 6.088 1.00 74.11 H new ATOM 0 HA THR A 546 8.864 -22.220 5.729 1.00 72.53 H new ATOM 0 HB THR A 546 10.617 -22.094 3.908 1.00 33.32 H new ATOM 0 HG1 THR A 546 9.948 -24.141 2.983 1.00 31.31 H new ATOM 0 HG21 THR A 546 12.215 -23.965 3.723 1.00 54.24 H new ATOM 0 HG22 THR A 546 12.516 -22.985 5.178 1.00 54.24 H new ATOM 0 HG23 THR A 546 11.698 -24.559 5.318 1.00 54.24 H new ATOM 1023 N ARG A 547 10.843 -23.784 7.739 1.00 42.14 N ATOM 1024 CA ARG A 547 10.954 -24.876 8.698 1.00 64.34 C ATOM 1025 C ARG A 547 10.611 -24.400 10.106 1.00 23.22 C ATOM 1026 O ARG A 547 10.240 -25.196 10.970 1.00 43.03 O ATOM 1027 CB ARG A 547 12.368 -25.461 8.675 1.00 11.25 C ATOM 1028 CG ARG A 547 13.461 -24.416 8.829 1.00 24.32 C ATOM 1029 CD ARG A 547 14.785 -25.050 9.227 1.00 63.11 C ATOM 1030 NE ARG A 547 15.503 -25.587 8.074 1.00 22.00 N ATOM 1031 CZ ARG A 547 16.746 -26.051 8.134 1.00 63.45 C ATOM 1032 NH1 ARG A 547 17.406 -26.045 9.284 1.00 54.02 N ATOM 1033 NH2 ARG A 547 17.332 -26.524 7.041 1.00 63.12 N ATOM 0 H ARG A 547 11.550 -23.056 7.845 1.00 42.14 H new ATOM 0 HA ARG A 547 10.243 -25.651 8.412 1.00 64.34 H new ATOM 0 HB2 ARG A 547 12.462 -26.194 9.476 1.00 11.25 H new ATOM 0 HB3 ARG A 547 12.516 -25.994 7.736 1.00 11.25 H new ATOM 0 HG2 ARG A 547 13.583 -23.874 7.891 1.00 24.32 H new ATOM 0 HG3 ARG A 547 13.165 -23.686 9.582 1.00 24.32 H new ATOM 0 HD2 ARG A 547 15.407 -24.308 9.727 1.00 63.11 H new ATOM 0 HD3 ARG A 547 14.603 -25.849 9.945 1.00 63.11 H new ATOM 0 HE ARG A 547 15.024 -25.607 7.174 1.00 22.00 H new ATOM 0 HH11 ARG A 547 16.959 -25.683 10.127 1.00 54.02 H new ATOM 0 HH12 ARG A 547 18.360 -26.402 9.326 1.00 54.02 H new ATOM 0 HH21 ARG A 547 16.828 -26.531 6.154 1.00 63.12 H new ATOM 0 HH22 ARG A 547 18.287 -26.880 7.088 1.00 63.12 H new ATOM 1047 N THR A 548 10.738 -23.096 10.332 1.00 23.20 N ATOM 1048 CA THR A 548 10.444 -22.514 11.635 1.00 12.12 C ATOM 1049 C THR A 548 9.269 -21.546 11.552 1.00 32.42 C ATOM 1050 O THR A 548 9.197 -20.718 10.644 1.00 63.41 O ATOM 1051 CB THR A 548 11.666 -21.772 12.208 1.00 51.40 C ATOM 1052 OG1 THR A 548 12.792 -22.655 12.268 1.00 15.32 O ATOM 1053 CG2 THR A 548 11.367 -21.228 13.597 1.00 53.22 C ATOM 0 H THR A 548 11.043 -22.423 9.629 1.00 23.20 H new ATOM 0 HA THR A 548 10.186 -23.339 12.299 1.00 12.12 H new ATOM 0 HB THR A 548 11.896 -20.935 11.549 1.00 51.40 H new ATOM 0 HG1 THR A 548 13.565 -22.175 12.632 1.00 15.32 H new ATOM 0 HG21 THR A 548 12.245 -20.708 13.981 1.00 53.22 H new ATOM 0 HG22 THR A 548 10.529 -20.533 13.543 1.00 53.22 H new ATOM 0 HG23 THR A 548 11.113 -22.052 14.264 1.00 53.22 H new ATOM 1061 N ARG A 549 8.350 -21.656 12.506 1.00 53.21 N ATOM 1062 CA ARG A 549 7.177 -20.790 12.540 1.00 60.22 C ATOM 1063 C ARG A 549 6.634 -20.666 13.960 1.00 12.03 C ATOM 1064 O ARG A 549 7.145 -21.295 14.888 1.00 55.13 O ATOM 1065 CB ARG A 549 6.089 -21.333 11.612 1.00 72.41 C ATOM 1066 CG ARG A 549 6.315 -20.999 10.147 1.00 62.35 C ATOM 1067 CD ARG A 549 6.797 -22.212 9.366 1.00 31.55 C ATOM 1068 NE ARG A 549 5.795 -23.275 9.333 1.00 3.14 N ATOM 1069 CZ ARG A 549 6.085 -24.552 9.109 1.00 44.54 C ATOM 1070 NH1 ARG A 549 7.341 -24.923 8.899 1.00 52.54 N ATOM 1071 NH2 ARG A 549 5.119 -25.460 9.094 1.00 34.20 N ATOM 0 H ARG A 549 8.395 -22.336 13.265 1.00 53.21 H new ATOM 0 HA ARG A 549 7.477 -19.800 12.197 1.00 60.22 H new ATOM 0 HB2 ARG A 549 6.035 -22.416 11.725 1.00 72.41 H new ATOM 0 HB3 ARG A 549 5.125 -20.931 11.923 1.00 72.41 H new ATOM 0 HG2 ARG A 549 5.388 -20.629 9.710 1.00 62.35 H new ATOM 0 HG3 ARG A 549 7.049 -20.197 10.065 1.00 62.35 H new ATOM 0 HD2 ARG A 549 7.042 -21.913 8.347 1.00 31.55 H new ATOM 0 HD3 ARG A 549 7.714 -22.592 9.816 1.00 31.55 H new ATOM 0 HE ARG A 549 4.819 -23.023 9.491 1.00 3.14 H new ATOM 0 HH11 ARG A 549 8.087 -24.227 8.909 1.00 52.54 H new ATOM 0 HH12 ARG A 549 7.561 -25.904 8.727 1.00 52.54 H new ATOM 0 HH21 ARG A 549 4.152 -25.178 9.255 1.00 34.20 H new ATOM 0 HH22 ARG A 549 5.343 -26.440 8.922 1.00 34.20 H new ATOM 1085 N ILE A 550 5.597 -19.851 14.122 1.00 30.15 N ATOM 1086 CA ILE A 550 4.985 -19.645 15.429 1.00 31.22 C ATOM 1087 C ILE A 550 3.635 -18.948 15.300 1.00 32.22 C ATOM 1088 O ILE A 550 3.169 -18.673 14.194 1.00 73.34 O ATOM 1089 CB ILE A 550 5.894 -18.812 16.352 1.00 41.03 C ATOM 1090 CG1 ILE A 550 5.626 -19.160 17.817 1.00 1.45 C ATOM 1091 CG2 ILE A 550 5.679 -17.326 16.106 1.00 34.12 C ATOM 1092 CD1 ILE A 550 6.885 -19.374 18.628 1.00 64.24 C ATOM 0 H ILE A 550 5.163 -19.323 13.365 1.00 30.15 H new ATOM 0 HA ILE A 550 4.841 -20.632 15.869 1.00 31.22 H new ATOM 0 HB ILE A 550 6.933 -19.051 16.126 1.00 41.03 H new ATOM 0 HG12 ILE A 550 5.043 -18.359 18.271 1.00 1.45 H new ATOM 0 HG13 ILE A 550 5.017 -20.063 17.862 1.00 1.45 H new ATOM 0 HG21 ILE A 550 6.328 -16.750 16.766 1.00 34.12 H new ATOM 0 HG22 ILE A 550 5.916 -17.091 15.068 1.00 34.12 H new ATOM 0 HG23 ILE A 550 4.639 -17.071 16.308 1.00 34.12 H new ATOM 0 HD11 ILE A 550 6.618 -19.617 19.657 1.00 64.24 H new ATOM 0 HD12 ILE A 550 7.459 -20.195 18.198 1.00 64.24 H new ATOM 0 HD13 ILE A 550 7.486 -18.465 18.614 1.00 64.24 H new ATOM 1104 N LEU A 551 3.011 -18.663 16.438 1.00 24.21 N ATOM 1105 CA LEU A 551 1.714 -17.996 16.453 1.00 3.45 C ATOM 1106 C LEU A 551 1.627 -16.950 15.346 1.00 10.14 C ATOM 1107 O LEU A 551 0.602 -16.824 14.678 1.00 11.41 O ATOM 1108 CB LEU A 551 1.474 -17.337 17.813 1.00 52.10 C ATOM 1109 CG LEU A 551 2.368 -16.143 18.148 1.00 45.00 C ATOM 1110 CD1 LEU A 551 1.722 -14.846 17.688 1.00 13.41 C ATOM 1111 CD2 LEU A 551 2.659 -16.096 19.641 1.00 34.31 C ATOM 0 H LEU A 551 3.382 -18.883 17.362 1.00 24.21 H new ATOM 0 HA LEU A 551 0.944 -18.747 16.279 1.00 3.45 H new ATOM 0 HB2 LEU A 551 0.435 -17.011 17.858 1.00 52.10 H new ATOM 0 HB3 LEU A 551 1.605 -18.092 18.588 1.00 52.10 H new ATOM 0 HG LEU A 551 3.313 -16.262 17.618 1.00 45.00 H new ATOM 0 HD11 LEU A 551 2.373 -14.008 17.935 1.00 13.41 H new ATOM 0 HD12 LEU A 551 1.567 -14.879 16.610 1.00 13.41 H new ATOM 0 HD13 LEU A 551 0.762 -14.720 18.189 1.00 13.41 H new ATOM 0 HD21 LEU A 551 3.297 -15.240 19.861 1.00 34.31 H new ATOM 0 HD22 LEU A 551 1.723 -16.002 20.191 1.00 34.31 H new ATOM 0 HD23 LEU A 551 3.166 -17.013 19.942 1.00 34.31 H new ATOM 1123 N ASN A 552 2.711 -16.204 15.157 1.00 14.12 N ATOM 1124 CA ASN A 552 2.757 -15.170 14.130 1.00 71.14 C ATOM 1125 C ASN A 552 2.992 -15.782 12.752 1.00 20.41 C ATOM 1126 O ASN A 552 2.150 -15.675 11.860 1.00 31.15 O ATOM 1127 CB ASN A 552 3.860 -14.157 14.445 1.00 74.40 C ATOM 1128 CG ASN A 552 3.865 -12.988 13.479 1.00 75.52 C ATOM 1129 OD1 ASN A 552 2.694 -12.403 13.253 1.00 24.55 O flip ATOM 1130 ND2 ASN A 552 4.908 -12.616 12.942 1.00 43.12 N flip ATOM 0 H ASN A 552 3.569 -16.296 15.701 1.00 14.12 H new ATOM 0 HA ASN A 552 1.795 -14.658 14.122 1.00 71.14 H new ATOM 0 HB2 ASN A 552 3.728 -13.785 15.461 1.00 74.40 H new ATOM 0 HB3 ASN A 552 4.828 -14.656 14.412 1.00 74.40 H new ATOM 0 HD21 ASN A 552 5.785 -13.095 13.145 1.00 43.12 H new ATOM 0 HD22 ASN A 552 4.895 -11.829 12.294 1.00 43.12 H new ATOM 1137 N LYS A 553 4.143 -16.426 12.585 1.00 13.43 N ATOM 1138 CA LYS A 553 4.490 -17.058 11.318 1.00 53.50 C ATOM 1139 C LYS A 553 3.482 -18.145 10.958 1.00 3.23 C ATOM 1140 O LYS A 553 2.726 -18.627 11.801 1.00 30.45 O ATOM 1141 CB LYS A 553 5.897 -17.655 11.391 1.00 73.11 C ATOM 1142 CG LYS A 553 6.869 -16.823 12.209 1.00 21.44 C ATOM 1143 CD LYS A 553 6.854 -15.366 11.781 1.00 41.32 C ATOM 1144 CE LYS A 553 8.171 -14.677 12.102 1.00 3.43 C ATOM 1145 NZ LYS A 553 8.061 -13.195 12.001 1.00 45.12 N ATOM 0 H LYS A 553 4.851 -16.524 13.312 1.00 13.43 H new ATOM 0 HA LYS A 553 4.466 -16.294 10.541 1.00 53.50 H new ATOM 0 HB2 LYS A 553 5.836 -18.655 11.821 1.00 73.11 H new ATOM 0 HB3 LYS A 553 6.288 -17.766 10.380 1.00 73.11 H new ATOM 0 HG2 LYS A 553 6.611 -16.895 13.266 1.00 21.44 H new ATOM 0 HG3 LYS A 553 7.876 -17.225 12.098 1.00 21.44 H new ATOM 0 HD2 LYS A 553 6.660 -15.302 10.710 1.00 41.32 H new ATOM 0 HD3 LYS A 553 6.038 -14.846 12.284 1.00 41.32 H new ATOM 0 HE2 LYS A 553 8.488 -14.950 13.109 1.00 3.43 H new ATOM 0 HE3 LYS A 553 8.942 -15.031 11.418 1.00 3.43 H new ATOM 0 HZ1 LYS A 553 8.988 -12.794 11.754 1.00 45.12 H new ATOM 0 HZ2 LYS A 553 7.369 -12.948 11.265 1.00 45.12 H new ATOM 0 HZ3 LYS A 553 7.748 -12.807 12.914 1.00 45.12 H new ATOM 1159 N PRO A 554 3.471 -18.542 9.677 1.00 11.11 N ATOM 1160 CA PRO A 554 2.562 -19.578 9.178 1.00 64.24 C ATOM 1161 C PRO A 554 2.917 -20.964 9.706 1.00 10.11 C ATOM 1162 O PRO A 554 3.525 -21.770 9.002 1.00 10.23 O ATOM 1163 CB PRO A 554 2.756 -19.519 7.660 1.00 5.34 C ATOM 1164 CG PRO A 554 4.126 -18.963 7.475 1.00 23.12 C ATOM 1165 CD PRO A 554 4.345 -18.010 8.618 1.00 75.13 C ATOM 0 HA PRO A 554 1.534 -19.406 9.498 1.00 64.24 H new ATOM 0 HB2 PRO A 554 2.666 -20.508 7.211 1.00 5.34 H new ATOM 0 HB3 PRO A 554 2.005 -18.885 7.189 1.00 5.34 H new ATOM 0 HG2 PRO A 554 4.873 -19.757 7.480 1.00 23.12 H new ATOM 0 HG3 PRO A 554 4.213 -18.450 6.517 1.00 23.12 H new ATOM 0 HD2 PRO A 554 5.389 -17.990 8.931 1.00 75.13 H new ATOM 0 HD3 PRO A 554 4.074 -16.989 8.348 1.00 75.13 H new ATOM 1173 N MET A 555 2.533 -21.234 10.949 1.00 34.23 N ATOM 1174 CA MET A 555 2.809 -22.524 11.571 1.00 62.12 C ATOM 1175 C MET A 555 2.120 -23.653 10.810 1.00 4.23 C ATOM 1176 O MET A 555 2.764 -24.614 10.392 1.00 75.42 O ATOM 1177 CB MET A 555 2.348 -22.521 13.030 1.00 41.34 C ATOM 1178 CG MET A 555 2.590 -23.839 13.747 1.00 63.05 C ATOM 1179 SD MET A 555 4.335 -24.128 14.099 1.00 11.31 S ATOM 1180 CE MET A 555 4.628 -25.621 13.155 1.00 24.32 C ATOM 0 H MET A 555 2.030 -20.577 11.545 1.00 34.23 H new ATOM 0 HA MET A 555 3.886 -22.691 11.539 1.00 62.12 H new ATOM 0 HB2 MET A 555 2.867 -21.725 13.565 1.00 41.34 H new ATOM 0 HB3 MET A 555 1.284 -22.288 13.066 1.00 41.34 H new ATOM 0 HG2 MET A 555 2.028 -23.848 14.681 1.00 63.05 H new ATOM 0 HG3 MET A 555 2.206 -24.656 13.136 1.00 63.05 H new ATOM 0 HE1 MET A 555 5.641 -25.977 13.342 1.00 24.32 H new ATOM 0 HE2 MET A 555 3.913 -26.387 13.455 1.00 24.32 H new ATOM 0 HE3 MET A 555 4.508 -25.409 12.093 1.00 24.32 H new ATOM 1190 N ASN A 556 0.809 -23.528 10.636 1.00 73.54 N ATOM 1191 CA ASN A 556 0.033 -24.539 9.926 1.00 31.31 C ATOM 1192 C ASN A 556 -1.140 -23.904 9.185 1.00 45.11 C ATOM 1193 O ASN A 556 -2.268 -24.390 9.255 1.00 10.35 O ATOM 1194 CB ASN A 556 -0.481 -25.598 10.904 1.00 2.54 C ATOM 1195 CG ASN A 556 -0.796 -26.913 10.220 1.00 71.44 C ATOM 1196 OD1 ASN A 556 -1.957 -27.310 10.117 1.00 50.12 O ATOM 1197 ND2 ASN A 556 0.240 -27.597 9.747 1.00 34.55 N ATOM 0 H ASN A 556 0.261 -22.738 10.976 1.00 73.54 H new ATOM 0 HA ASN A 556 0.687 -25.015 9.195 1.00 31.31 H new ATOM 0 HB2 ASN A 556 0.266 -25.765 11.680 1.00 2.54 H new ATOM 0 HB3 ASN A 556 -1.377 -25.226 11.400 1.00 2.54 H new ATOM 0 HD21 ASN A 556 0.090 -28.489 9.276 1.00 34.55 H new ATOM 0 HD22 ASN A 556 1.186 -27.230 9.855 1.00 34.55 H new ATOM 1204 N MET A 557 -0.863 -22.816 8.474 1.00 13.51 N ATOM 1205 CA MET A 557 -1.895 -22.115 7.718 1.00 2.31 C ATOM 1206 C MET A 557 -1.970 -22.638 6.287 1.00 10.32 C ATOM 1207 O MET A 557 -1.183 -23.496 5.889 1.00 1.11 O ATOM 1208 CB MET A 557 -1.618 -20.610 7.710 1.00 63.23 C ATOM 1209 CG MET A 557 -0.302 -20.238 7.046 1.00 62.32 C ATOM 1210 SD MET A 557 -0.490 -19.866 5.292 1.00 63.35 S ATOM 1211 CE MET A 557 0.489 -21.176 4.561 1.00 63.21 C ATOM 0 H MET A 557 0.066 -22.401 8.405 1.00 13.51 H new ATOM 0 HA MET A 557 -2.854 -22.298 8.204 1.00 2.31 H new ATOM 0 HB2 MET A 557 -2.432 -20.102 7.194 1.00 63.23 H new ATOM 0 HB3 MET A 557 -1.614 -20.244 8.737 1.00 63.23 H new ATOM 0 HG2 MET A 557 0.125 -19.373 7.553 1.00 62.32 H new ATOM 0 HG3 MET A 557 0.406 -21.058 7.166 1.00 62.32 H new ATOM 0 HE1 MET A 557 1.428 -20.765 4.191 1.00 63.21 H new ATOM 0 HE2 MET A 557 0.697 -21.937 5.313 1.00 63.21 H new ATOM 0 HE3 MET A 557 -0.062 -21.624 3.734 1.00 63.21 H new ATOM 1221 N GLN A 558 -2.921 -22.115 5.520 1.00 72.00 N ATOM 1222 CA GLN A 558 -3.099 -22.531 4.134 1.00 65.12 C ATOM 1223 C GLN A 558 -3.896 -21.493 3.352 1.00 54.03 C ATOM 1224 O GLN A 558 -4.930 -21.010 3.816 1.00 70.00 O ATOM 1225 CB GLN A 558 -3.805 -23.887 4.072 1.00 4.44 C ATOM 1226 CG GLN A 558 -5.290 -23.813 4.386 1.00 73.54 C ATOM 1227 CD GLN A 558 -5.862 -25.149 4.820 1.00 4.21 C ATOM 1228 OE1 GLN A 558 -5.172 -26.168 4.800 1.00 63.54 O ATOM 1229 NE2 GLN A 558 -7.129 -25.150 5.217 1.00 2.10 N ATOM 0 H GLN A 558 -3.580 -21.403 5.835 1.00 72.00 H new ATOM 0 HA GLN A 558 -2.112 -22.622 3.680 1.00 65.12 H new ATOM 0 HB2 GLN A 558 -3.673 -24.311 3.077 1.00 4.44 H new ATOM 0 HB3 GLN A 558 -3.327 -24.569 4.775 1.00 4.44 H new ATOM 0 HG2 GLN A 558 -5.455 -23.078 5.174 1.00 73.54 H new ATOM 0 HG3 GLN A 558 -5.827 -23.461 3.505 1.00 73.54 H new ATOM 0 HE21 GLN A 558 -7.664 -24.282 5.217 1.00 2.10 H new ATOM 0 HE22 GLN A 558 -7.567 -26.019 5.522 1.00 2.10 H new ATOM 1238 N LEU A 559 -3.410 -21.153 2.163 1.00 73.31 N ATOM 1239 CA LEU A 559 -4.078 -20.171 1.315 1.00 31.54 C ATOM 1240 C LEU A 559 -5.517 -20.589 1.028 1.00 63.12 C ATOM 1241 O LEU A 559 -5.763 -21.647 0.447 1.00 31.10 O ATOM 1242 CB LEU A 559 -3.313 -19.998 0.002 1.00 11.22 C ATOM 1243 CG LEU A 559 -3.602 -18.715 -0.778 1.00 60.13 C ATOM 1244 CD1 LEU A 559 -5.011 -18.744 -1.351 1.00 24.33 C ATOM 1245 CD2 LEU A 559 -3.411 -17.495 0.111 1.00 21.21 C ATOM 0 H LEU A 559 -2.556 -21.543 1.764 1.00 73.31 H new ATOM 0 HA LEU A 559 -4.095 -19.219 1.846 1.00 31.54 H new ATOM 0 HB2 LEU A 559 -2.245 -20.035 0.219 1.00 11.22 H new ATOM 0 HB3 LEU A 559 -3.537 -20.849 -0.641 1.00 11.22 H new ATOM 0 HG LEU A 559 -2.896 -18.650 -1.606 1.00 60.13 H new ATOM 0 HD11 LEU A 559 -5.198 -17.823 -1.903 1.00 24.33 H new ATOM 0 HD12 LEU A 559 -5.113 -19.596 -2.023 1.00 24.33 H new ATOM 0 HD13 LEU A 559 -5.732 -18.834 -0.539 1.00 24.33 H new ATOM 0 HD21 LEU A 559 -3.621 -16.591 -0.461 1.00 21.21 H new ATOM 0 HD22 LEU A 559 -4.092 -17.553 0.960 1.00 21.21 H new ATOM 0 HD23 LEU A 559 -2.383 -17.465 0.472 1.00 21.21 H new ATOM 1257 N LEU A 560 -6.463 -19.751 1.436 1.00 72.04 N ATOM 1258 CA LEU A 560 -7.878 -20.032 1.220 1.00 54.42 C ATOM 1259 C LEU A 560 -8.492 -19.023 0.254 1.00 73.42 C ATOM 1260 O LEU A 560 -9.479 -19.316 -0.421 1.00 1.45 O ATOM 1261 CB LEU A 560 -8.633 -20.005 2.550 1.00 4.24 C ATOM 1262 CG LEU A 560 -9.063 -18.625 3.050 1.00 32.31 C ATOM 1263 CD1 LEU A 560 -10.513 -18.353 2.682 1.00 54.11 C ATOM 1264 CD2 LEU A 560 -8.864 -18.517 4.555 1.00 44.12 C ATOM 0 H LEU A 560 -6.276 -18.872 1.918 1.00 72.04 H new ATOM 0 HA LEU A 560 -7.962 -21.026 0.781 1.00 54.42 H new ATOM 0 HB2 LEU A 560 -9.522 -20.627 2.453 1.00 4.24 H new ATOM 0 HB3 LEU A 560 -8.004 -20.465 3.312 1.00 4.24 H new ATOM 0 HG LEU A 560 -8.439 -17.874 2.566 1.00 32.31 H new ATOM 0 HD11 LEU A 560 -10.802 -17.367 3.046 1.00 54.11 H new ATOM 0 HD12 LEU A 560 -10.626 -18.388 1.598 1.00 54.11 H new ATOM 0 HD13 LEU A 560 -11.152 -19.109 3.138 1.00 54.11 H new ATOM 0 HD21 LEU A 560 -9.175 -17.529 4.893 1.00 44.12 H new ATOM 0 HD22 LEU A 560 -9.463 -19.277 5.057 1.00 44.12 H new ATOM 0 HD23 LEU A 560 -7.811 -18.668 4.795 1.00 44.12 H new ATOM 1276 N GLY A 561 -7.900 -17.835 0.191 1.00 45.20 N ATOM 1277 CA GLY A 561 -8.401 -16.802 -0.697 1.00 25.01 C ATOM 1278 C GLY A 561 -7.788 -16.880 -2.081 1.00 63.11 C ATOM 1279 O GLY A 561 -7.550 -17.970 -2.602 1.00 32.34 O ATOM 0 H GLY A 561 -7.082 -17.569 0.739 1.00 45.20 H new ATOM 0 HA2 GLY A 561 -9.484 -16.890 -0.777 1.00 25.01 H new ATOM 0 HA3 GLY A 561 -8.192 -15.823 -0.265 1.00 25.01 H new ATOM 1283 N ASP A 562 -7.533 -15.722 -2.680 1.00 5.15 N ATOM 1284 CA ASP A 562 -6.944 -15.663 -4.013 1.00 31.34 C ATOM 1285 C ASP A 562 -6.740 -14.217 -4.453 1.00 72.25 C ATOM 1286 O ASP A 562 -7.658 -13.401 -4.381 1.00 1.43 O ATOM 1287 CB ASP A 562 -7.834 -16.396 -5.019 1.00 5.45 C ATOM 1288 CG ASP A 562 -7.436 -16.115 -6.454 1.00 55.44 C ATOM 1289 OD1 ASP A 562 -6.813 -16.997 -7.082 1.00 11.24 O ATOM 1290 OD2 ASP A 562 -7.750 -15.013 -6.951 1.00 42.23 O ATOM 0 H ASP A 562 -7.725 -14.811 -2.263 1.00 5.15 H new ATOM 0 HA ASP A 562 -5.971 -16.153 -3.976 1.00 31.34 H new ATOM 0 HB2 ASP A 562 -7.780 -17.469 -4.833 1.00 5.45 H new ATOM 0 HB3 ASP A 562 -8.871 -16.098 -4.867 1.00 5.45 H new ATOM 1295 N ALA A 563 -5.531 -13.908 -4.910 1.00 1.03 N ATOM 1296 CA ALA A 563 -5.207 -12.561 -5.363 1.00 62.10 C ATOM 1297 C ALA A 563 -6.122 -12.131 -6.505 1.00 22.04 C ATOM 1298 O ALA A 563 -6.302 -12.864 -7.477 1.00 3.22 O ATOM 1299 CB ALA A 563 -3.750 -12.486 -5.795 1.00 2.21 C ATOM 0 H ALA A 563 -4.760 -14.572 -4.976 1.00 1.03 H new ATOM 0 HA ALA A 563 -5.363 -11.876 -4.529 1.00 62.10 H new ATOM 0 HB1 ALA A 563 -3.522 -11.475 -6.131 1.00 2.21 H new ATOM 0 HB2 ALA A 563 -3.107 -12.742 -4.953 1.00 2.21 H new ATOM 0 HB3 ALA A 563 -3.576 -13.187 -6.611 1.00 2.21 H new ATOM 1305 N GLN A 564 -6.697 -10.940 -6.379 1.00 14.33 N ATOM 1306 CA GLN A 564 -7.595 -10.414 -7.400 1.00 52.23 C ATOM 1307 C GLN A 564 -6.919 -10.406 -8.767 1.00 50.04 C ATOM 1308 O GLN A 564 -5.811 -9.891 -8.921 1.00 22.13 O ATOM 1309 CB GLN A 564 -8.047 -8.999 -7.033 1.00 63.14 C ATOM 1310 CG GLN A 564 -9.476 -8.690 -7.447 1.00 73.25 C ATOM 1311 CD GLN A 564 -9.610 -8.430 -8.935 1.00 62.40 C ATOM 1312 OE1 GLN A 564 -9.176 -7.393 -9.437 1.00 61.22 O ATOM 1313 NE2 GLN A 564 -10.213 -9.374 -9.649 1.00 45.23 N ATOM 0 H GLN A 564 -6.557 -10.321 -5.580 1.00 14.33 H new ATOM 0 HA GLN A 564 -8.468 -11.065 -7.450 1.00 52.23 H new ATOM 0 HB2 GLN A 564 -7.953 -8.865 -5.955 1.00 63.14 H new ATOM 0 HB3 GLN A 564 -7.377 -8.279 -7.504 1.00 63.14 H new ATOM 0 HG2 GLN A 564 -10.119 -9.525 -7.169 1.00 73.25 H new ATOM 0 HG3 GLN A 564 -9.829 -7.818 -6.897 1.00 73.25 H new ATOM 0 HE21 GLN A 564 -10.557 -10.218 -9.191 1.00 45.23 H new ATOM 0 HE22 GLN A 564 -10.332 -9.255 -10.655 1.00 45.23 H new